 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer08_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer08_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-20474.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20489.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer08_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.659259000000     -0.321312000000     -1.242193000000
  C                                                 1.490963000000     -0.745946000000     -0.207237000000
  C                                                -0.718090000000     -0.258894000000     -1.081887000000
  C                                                -1.309776000000     -0.623337000000      0.126200000000
  C                                                -0.482719000000     -1.046352000000      1.164346000000
  C                                                 0.893763000000     -1.109729000000      0.998704000000
  C                                                 2.987238000000     -0.775646000000     -0.362525000000
  C                                                 3.710480000000      0.390606000000      0.339713000000
  C                                                 3.287383000000      1.743851000000     -0.228396000000
  C                                                 5.224362000000      0.205410000000      0.249886000000
  C                                                -2.815068000000     -0.572574000000      0.328715000000
  C                                                -3.274676000000      0.873485000000      0.381112000000
  O                                                -3.494906000000      1.491243000000      1.389409000000
  O                                                -3.402223000000      1.428965000000     -0.848305000000
  H                                                 1.098199000000     -0.031355000000     -2.189320000000
  H                                                -1.334062000000      0.086297000000     -1.901266000000
  H                                                -0.922428000000     -1.331954000000      2.112188000000
  H                                                 1.513624000000     -1.448846000000      1.820517000000
  H                                                 3.246499000000     -0.759051000000     -1.425314000000
  H                                                 3.374941000000     -1.715698000000      0.040233000000
  H                                                 3.424573000000      0.363197000000      1.397105000000
  H                                                 2.212629000000      1.900857000000     -0.133760000000
  H                                                 3.544429000000      1.813495000000     -1.289511000000
  H                                                 3.795064000000      2.559094000000      0.290594000000
  H                                                 5.554471000000      0.218287000000     -0.792668000000
  H                                                 5.536289000000     -0.745777000000      0.686569000000
  H                                                 5.750693000000      1.005637000000      0.773849000000
  H                                                -3.026818000000     -0.959937000000      1.324718000000
  C                                                -3.586088000000     -1.398877000000     -0.707092000000
  H                                                -3.660581000000      2.353748000000     -0.711548000000
  H                                                -3.405320000000     -1.038742000000     -1.718004000000
  H                                                -4.660002000000     -1.355147000000     -0.518665000000
  H                                                -3.267355000000     -2.439875000000     -0.650623000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393980   0.000000
     3  C    1.388051   2.425314   0.000000
     4  C    2.416778   2.823181   1.393695   0.000000
     5  C    2.760657   2.422169   2.391872   1.393094   0.000000
     6  C    2.387093   1.394016   2.766017   2.419385   1.387860
     7  C    2.529767   1.504605   3.809720   4.327399   3.800687
     8  C    3.509872   2.552873   4.696278   5.126074   4.508635
     9  C    3.492810   3.070287   4.558865   5.182971   4.892712
    10  C    4.831553   3.879730   6.107531   6.587646   5.913875
    11  C    3.821234   4.342719   2.546666   1.519702   2.522419
    12  C    4.420238   5.067546   3.155754   2.483201   3.477679
    13  O    5.240970   5.693258   4.108648   3.292710   3.945036
    14  O    4.440074   5.393002   3.179308   3.088679   4.324519
    15  H    1.083417   2.143258   2.139413   3.392701   3.844034
    16  H    2.138656   3.397518   1.081647   2.148206   3.377226
    17  H    3.843827   3.398175   3.375697   2.143904   1.083198
    18  H    3.373643   2.146245   3.849738   3.394667   2.139614
    19  H    2.630392   2.136771   4.010744   4.815107   4.549280
    20  H    3.311172   2.133315   4.487130   4.811155   4.073475
    21  H    3.883479   2.746445   4.867654   5.000251   4.160281
    22  H    2.929098   2.744406   3.761992   4.341252   4.199526
    23  H    3.589407   3.455254   4.744151   5.612993   5.515257
    24  H    4.525422   4.059557   5.494845   6.017830   5.662341
    25  H    4.945335   4.217176   6.297330   6.976427   6.471235
    26  H    5.261722   4.142892   6.517802   6.870052   6.045418
    27  H    5.634529   4.709127   6.847478   7.274835   6.574083
    28  H    4.536963   4.775251   3.407849   2.120844   2.550613
    29  C    4.412533   5.143211   3.108930   2.545080   3.641079
    30  H    5.108674   6.033311   3.952379   3.884732   5.017815
    31  H    4.154745   5.132420   2.869497   2.822225   4.104826
    32  H    5.466886   6.188900   4.130092   3.489328   4.514153
    33  H    4.500729   5.070264   3.382517   2.781255   3.604194
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519364   0.000000
     8  C    3.258707   1.541545   0.000000
     9  C    3.921493   2.540855   1.527426   0.000000
    10  C    4.587418   2.518381   1.527811   2.519413   0.000000
    11  C    3.806947   5.846863   6.596258   6.551039   8.077370
    12  C    4.657300   6.517990   7.001949   6.647530   8.526265
    13  O    5.116456   7.087048   7.364160   6.977145   8.886929
    14  O    5.320893   6.776541   7.285610   6.725643   8.781861
    15  H    3.371673   2.731230   3.660338   3.433527   4.799063
    16  H    3.847533   4.667366   5.528290   5.186881   6.903229
    17  H    2.141910   4.660383   5.250973   5.715017   6.604141
    18  H    1.083792   2.718531   3.225297   4.187789   4.355803
    19  H    3.396205   1.094080   2.156921   2.774672   2.765578
    20  H    2.728023   1.093721   2.153785   3.471067   2.674877
    21  H    2.955204   2.141150   1.095706   2.137120   2.140152
    22  H    3.476422   2.795715   2.179127   1.090277   3.477393
    23  H    4.561491   2.805961   2.169460   1.094024   2.788881
    24  H    4.730669   3.492798   2.170693   1.091656   2.753975
    25  H    5.166705   2.786326   2.170779   2.790239   1.093644
    26  H    4.667219   2.756656   2.178360   3.477497   1.092130
    27  H    5.302368   3.478649   2.174674   2.759955   1.091753
    28  H    3.936963   6.248970   6.941569   7.042142   8.402099
    29  C    4.802334   6.611789   7.585378   7.573011   9.006307
    30  H    5.971824   7.355843   7.700105   6.991396   9.191405
    31  H    5.086026   6.539980   7.543994   7.399597   8.938228
    32  H    5.762547   7.670755   8.593569   8.535161  10.036267
    33  H    4.669526   6.478626   7.594904   7.787582   8.939670
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518246   0.000000
    13  O    2.417973   1.202825   0.000000
    14  O    2.395054   1.355099   2.240498   0.000000
    15  H    4.684771   5.152465   6.018490   4.917790   0.000000
    16  H    2.756865   3.097563   4.179912   2.681189   2.452083
    17  H    2.709155   3.659734   3.887222   4.747270   4.927216
    18  H    4.661641   5.512978   5.823689   6.290466   4.273248
    19  H    6.313001   6.960896   7.644150   7.023237   2.393416
    20  H    6.301283   7.144052   7.700620   7.523853   3.604368
    21  H    6.399238   6.795040   7.010830   7.265182   4.293033
    22  H    5.622231   5.606345   5.921468   5.679773   3.033270
    23  H    6.982491   7.083417   7.538746   6.971262   3.193301
    24  H    7.314550   7.268473   7.449252   7.373956   4.487035
    25  H    8.481282   8.930895   9.395377   9.038319   4.676678
    26  H    8.360815   8.963728   9.330634   9.326432   5.336458
    27  H    8.721305   9.034876   9.278784   9.305185   5.612613
    28  H    1.089454   2.076839   2.496312   3.251125   5.497863
    29  C    1.533018   2.538660   3.571614   2.837329   5.099967
    30  H    3.218757   1.879896   2.277144   0.969884   5.524356
    31  H    2.180543   2.842528   4.008100   2.616479   4.638820
    32  H    2.175834   2.774081   3.619410   3.072776   6.140065
    33  H    2.156497   3.470286   4.434772   3.876234   5.217913
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276528   0.000000
    18  H    4.931293   2.456234   0.000000
    19  H    4.682166   5.497462   3.743540   0.000000
    20  H    5.402899   4.786192   2.589425   1.754850   0.000000
    21  H    5.796597   4.720307   2.667303   3.042565   2.483016
    22  H    4.358408   5.032289   3.940599   3.132429   3.802724
    23  H    5.211250   6.435699   4.943613   2.593299   3.775202
    24  H    6.101386   6.380689   4.858932   3.775626   4.302677
    25  H    6.978417   7.265787   5.092790   2.584988   3.030573
    26  H    7.388570   6.640107   4.238157   3.115022   2.455590
    27  H    7.628577   7.196251   5.007270   3.771131   3.686198
    28  H    3.790383   2.277490   4.593524   6.852557   6.572944
    29  C    2.950155   3.879163   5.691956   6.899961   7.008195
    30  H    3.459690   5.390303   6.902425   7.609647   8.162361
    31  H    2.364193   4.573959   6.073329   6.664127   7.037159
    32  H    3.879591   4.570709   6.602591   7.980608   8.062424
    33  H    3.418081   3.789366   5.472333   6.771677   6.717277
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485308   0.000000
    23  H    3.055427   1.765526   0.000000
    24  H    2.486683   1.765631   1.765069   0.000000
    25  H    3.058197   3.799093   2.613773   3.122234   0.000000
    26  H    2.488781   4.327162   3.797667   3.756439   1.765755
    27  H    2.492391   3.760727   3.126930   2.543865   1.764199
    28  H    6.586074   6.145169   7.596539   7.745390   8.916841
    29  C    7.528739   6.696422   7.842373   8.434590   9.282907
    30  H    7.655594   5.918914   7.248316   7.525497   9.459596
    31  H    7.636542   6.535474   7.524485   8.296048   9.094736
    32  H    8.484293   7.614642   8.828770   9.352236  10.338580
    33  H    7.538720   7.009945   8.056037   8.703640   9.214696
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766646   0.000000
    28  H    8.589523   9.011750   0.000000
    29  C    9.251302   9.754504   2.152604   0.000000
    30  H    9.805315   9.622676   3.940627   3.753367   0.000000
    31  H    9.263918   9.706770   3.067186   1.088263   3.547830
    32  H   10.285343  10.752975   2.494302   1.091196   3.846030
    33  H    9.064337   9.758374   2.479929   1.090163   4.810110
                   31         32         33
    31  H    0.000000
    32  H    1.764300   0.000000
    33  H    1.766780   1.770173   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.06D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3410822           0.2605989           0.2498493
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.6785235907 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618126251 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.6167109656 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.08D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               7.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.326145485407    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.326145485407     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.69D-02 MaxDP=8.13D-01              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.12D-02    CP:  1.38D+00
 E= -656.335998617922     Delta-E=       -0.009853132515 Rises=F Damp=F
 DIIS: error= 6.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.335998617922     IErMin= 2 ErrMin= 6.55D-04
 ErrMax= 6.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.55D-03
 Coeff-Com:  0.358D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.355D-01 0.964D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=8.72D-04 MaxDP=4.29D-02 DE=-9.85D-03 OVMax= 7.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.50D-04    CP:  1.40D+00  1.04D+00
 E= -656.335845202945     Delta-E=        0.000153414977 Rises=F Damp=F
 DIIS: error= 9.03D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.335998617922     IErMin= 2 ErrMin= 6.55D-04
 ErrMax= 9.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-04 BMatP= 3.76D-04
 IDIUse=3 WtCom= 2.50D-01 WtEn= 7.50D-01
 Coeff-Com: -0.133D-01 0.572D+00 0.441D+00
 Coeff-En:   0.000D+00 0.590D+00 0.410D+00
 Coeff:     -0.331D-02 0.585D+00 0.418D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=9.39D-05 MaxDP=4.47D-03 DE= 1.53D-04 OVMax= 4.21D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.57D-05    CP:  1.40D+00  1.04D+00  7.81D-01
 E= -656.336312067301     Delta-E=       -0.000466864356 Rises=F Damp=F
 DIIS: error= 1.63D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.336312067301     IErMin= 4 ErrMin= 1.63D-04
 ErrMax= 1.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-05 BMatP= 3.76D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.63D-03
 Coeff-Com: -0.883D-02 0.289D+00 0.230D+00 0.491D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.881D-02 0.288D+00 0.229D+00 0.491D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=1.32D-03 DE=-4.67D-04 OVMax= 9.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.31D-05    CP:  1.40D+00  1.04D+00  7.29D-01  9.67D-01
 E= -656.336322635309     Delta-E=       -0.000010568009 Rises=F Damp=F
 DIIS: error= 3.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.336322635309     IErMin= 5 ErrMin= 3.97D-05
 ErrMax= 3.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-06 BMatP= 1.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.323D-02 0.796D-01 0.653D-01 0.283D+00 0.576D+00
 Coeff:     -0.323D-02 0.796D-01 0.653D-01 0.283D+00 0.576D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.08D-05 MaxDP=5.21D-04 DE=-1.06D-05 OVMax= 5.09D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.26D-06    CP:  1.40D+00  1.04D+00  7.28D-01  9.24D-01  8.28D-01
 E= -656.336323866458     Delta-E=       -0.000001231149 Rises=F Damp=F
 DIIS: error= 2.15D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.336323866458     IErMin= 6 ErrMin= 2.15D-05
 ErrMax= 2.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-07 BMatP= 2.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.666D-03 0.524D-02 0.539D-02 0.103D+00 0.391D+00 0.496D+00
 Coeff:     -0.666D-03 0.524D-02 0.539D-02 0.103D+00 0.391D+00 0.496D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=6.79D-06 MaxDP=3.33D-04 DE=-1.23D-06 OVMax= 1.71D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.23D-06    CP:  1.40D+00  1.04D+00  7.33D-01  9.28D-01  8.07D-01
                    CP:  7.60D-01
 E= -656.336324315269     Delta-E=       -0.000000448811 Rises=F Damp=F
 DIIS: error= 2.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.336324315269     IErMin= 7 ErrMin= 2.31D-06
 ErrMax= 2.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.06D-09 BMatP= 5.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03-0.132D-02-0.626D-03 0.283D-01 0.134D+00 0.200D+00
 Coeff-Com:  0.640D+00
 Coeff:     -0.130D-03-0.132D-02-0.626D-03 0.283D-01 0.134D+00 0.200D+00
 Coeff:      0.640D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.42D-06 MaxDP=4.69D-05 DE=-4.49D-07 OVMax= 3.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.40D+00  1.04D+00  7.33D-01  9.34D-01  8.27D-01
                    CP:  7.19D-01  8.54D-01
 E= -656.336324321021     Delta-E=       -0.000000005752 Rises=F Damp=F
 DIIS: error= 7.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.336324321021     IErMin= 8 ErrMin= 7.95D-07
 ErrMax= 7.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-09 BMatP= 7.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-04-0.107D-02-0.717D-03 0.670D-02 0.411D-01 0.672D-01
 Coeff-Com:  0.341D+00 0.546D+00
 Coeff:     -0.193D-04-0.107D-02-0.717D-03 0.670D-02 0.411D-01 0.672D-01
 Coeff:      0.341D+00 0.546D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.70D-07 MaxDP=2.19D-05 DE=-5.75D-09 OVMax= 1.74D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.40D+00  1.04D+00  7.33D-01  9.34D-01  8.26D-01
                    CP:  7.18D-01  8.80D-01  7.20D-01
 E= -656.336324322230     Delta-E=       -0.000000001209 Rises=F Damp=F
 DIIS: error= 3.11D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.336324322230     IErMin= 9 ErrMin= 3.11D-07
 ErrMax= 3.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-10 BMatP= 1.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-05-0.445D-03-0.328D-03 0.816D-04 0.634D-02 0.125D-01
 Coeff-Com:  0.114D+00 0.315D+00 0.553D+00
 Coeff:      0.586D-05-0.445D-03-0.328D-03 0.816D-04 0.634D-02 0.125D-01
 Coeff:      0.114D+00 0.315D+00 0.553D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=5.62D-06 DE=-1.21D-09 OVMax= 6.87D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.46D-08    CP:  1.40D+00  1.04D+00  7.33D-01  9.34D-01  8.25D-01
                    CP:  7.22D-01  8.71D-01  7.49D-01  6.91D-01
 E= -656.336324322412     Delta-E=       -0.000000000182 Rises=F Damp=F
 DIIS: error= 8.88D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.336324322412     IErMin=10 ErrMin= 8.88D-08
 ErrMax= 8.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-11 BMatP= 1.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.477D-05-0.161D-03-0.121D-03-0.536D-03 0.287D-03 0.133D-02
 Coeff-Com:  0.362D-01 0.131D+00 0.313D+00 0.519D+00
 Coeff:      0.477D-05-0.161D-03-0.121D-03-0.536D-03 0.287D-03 0.133D-02
 Coeff:      0.362D-01 0.131D+00 0.313D+00 0.519D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.52D-08 MaxDP=1.98D-06 DE=-1.82D-10 OVMax= 1.63D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.87D-08    CP:  1.40D+00  1.04D+00  7.33D-01  9.34D-01  8.25D-01
                    CP:  7.22D-01  8.76D-01  7.44D-01  7.05D-01  7.06D-01
 E= -656.336324322422     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.336324322422     IErMin=11 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.94D-13 BMatP= 1.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-05-0.326D-04-0.238D-04-0.279D-03-0.427D-03-0.689D-03
 Coeff-Com:  0.595D-02 0.306D-01 0.957D-01 0.253D+00 0.616D+00
 Coeff:      0.169D-05-0.326D-04-0.238D-04-0.279D-03-0.427D-03-0.689D-03
 Coeff:      0.595D-02 0.306D-01 0.957D-01 0.253D+00 0.616D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.18D-08 MaxDP=5.01D-07 DE=-1.00D-11 OVMax= 3.63D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.18D-09    CP:  1.40D+00  1.04D+00  7.33D-01  9.34D-01  8.25D-01
                    CP:  7.22D-01  8.76D-01  7.47D-01  7.12D-01  6.98D-01
                    CP:  7.62D-01
 E= -656.336324322380     Delta-E=        0.000000000042 Rises=F Damp=F
 DIIS: error= 7.54D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.336324322422     IErMin=12 ErrMin= 7.54D-09
 ErrMax= 7.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.10D-14 BMatP= 9.94D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-06-0.257D-06 0.111D-05-0.856D-04-0.199D-03-0.463D-03
 Coeff-Com: -0.529D-03 0.240D-02 0.160D-01 0.720D-01 0.292D+00 0.619D+00
 Coeff:      0.333D-06-0.257D-06 0.111D-05-0.856D-04-0.199D-03-0.463D-03
 Coeff:     -0.529D-03 0.240D-02 0.160D-01 0.720D-01 0.292D+00 0.619D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.12D-09 MaxDP=1.50D-07 DE= 4.21D-11 OVMax= 1.43D-07

 SCF Done:  E(RB3LYP) =  -656.336324322     A.U. after   12 cycles
            NFock= 12  Conv=0.41D-08     -V/T= 2.0112
 KE= 6.490946658220D+02 PE=-3.467925443641D+03 EE= 1.189877742531D+03
 Leave Link  502 at Wed Sep  8 12:35:46 2021, MaxMem=  6442450944 cpu:            2893.3 elap:             362.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.48756676D+02

 Leave Link  801 at Wed Sep  8 12:35:46 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10073 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 4.14D-01 1.74D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 8.93D-02 1.09D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 1.04D-02 2.65D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.81D-03 1.52D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.25D-04 1.85D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.73D-06 2.77D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.56D-07 3.94D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 4.64D-09 1.02D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.15D-10 1.75D-06.
      9 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 2.76D-12 1.76D-07.
      2 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 5.35D-14 3.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.24D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.223923D+03
      2 -0.257687D+01  0.137355D+03
      3 -0.441587D+00 -0.708437D+01  0.150842D+03
 Isotropic polarizability for W=    0.088559      170.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.253889D+03  0.444836D+02  0.422658D+01
      2  -0.133606D+03 -0.222708D+02  0.199515D+02
      3  -0.120283D+03 -0.222128D+02 -0.241781D+02
      4  -0.301197D+02  0.714652D+02 -0.241676D+02
      5   0.318858D+00 -0.260543D+02  0.586427D+02
      6  -0.132624D+02  0.142305D+02 -0.316080D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.196837D+01 -0.702774D+01  0.218865D+02
      2   0.103997D+02 -0.746058D+01  0.299852D+02
      3  -0.113523D+03 -0.412961D+02  0.104370D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.188666D+01 -0.572102D+01  0.939517D+01
      2   0.390772D+01 -0.109052D+02  0.178925D+03
      3  -0.746033D+02 -0.205071D+03  0.127919D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.101657D+01 -0.106965D+01  0.147581D+02
      2  -0.106965D+01  0.150804D+01 -0.440552D+00
      3   0.147581D+02 -0.440552D+00 -0.151651D+01
 OR G Eigenvalues:   -15.0719     1.4279    14.6521  Iso=    -0.3360
 Eigenvectors:
   (1)  -0.676654  -0.024100   0.735906
   (2)   0.044395   0.996310   0.073449
   (3)   0.734961  -0.082370   0.673088
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3360 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      -82.60 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.52D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.51D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.53D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.12D-02 4.66D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.35D-03 9.07D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 8.55D-05 1.67D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 9.47D-07 1.83D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 7.52D-09 8.09D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.71D-11 5.37D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.41D-13 3.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.66D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.66D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223923D+03 -0.257687D+01 -0.441587D+00
      2  -0.257687D+01  0.137355D+03 -0.708437D+01
      3  -0.441587D+00 -0.708437D+01  0.150842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.196837D+01 -0.702774D+01  0.218865D+02
      2   0.103997D+02 -0.746058D+01  0.299852D+02
      3  -0.113523D+03 -0.412961D+02  0.104370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253889D+03  0.444836D+02  0.422658D+01
      2  -0.133606D+03 -0.222708D+02  0.199515D+02
      3  -0.120283D+03 -0.222128D+02 -0.241781D+02
      4  -0.301197D+02  0.714652D+02 -0.241676D+02
      5   0.318858D+00 -0.260543D+02  0.586427D+02
      6  -0.132624D+02  0.142305D+02 -0.316080D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153004D+02  0.469216D+00  0.958764D+00  0.653957D+01  0.222083D+01
      2   0.469216D+00  0.764461D+00  0.896381D-01  0.222083D+01  0.201111D+01
      3   0.958764D+00  0.896381D-01  0.146222D+01  0.457387D-01 -0.278050D+01
                 6             7             8             9            10 
      1   0.457387D-01 -0.120177D+02  0.534853D+00 -0.439783D+00  0.350802D+02
      2  -0.278050D+01  0.534853D+00 -0.133451D+01 -0.106742D+01  0.141520D+01
      3  -0.234673D+01 -0.439783D+00 -0.106742D+01 -0.154405D+01 -0.114691D+01
                11            12            13            14            15 
      1   0.141520D+01 -0.114691D+01 -0.861005D+00  0.484493D+01  0.108823D+01
      2   0.191355D+01 -0.690549D+00  0.484493D+01 -0.970488D+00 -0.163031D+00
      3  -0.690549D+00  0.278942D+01  0.108823D+01 -0.163031D+00 -0.544458D+00
                16            17            18            19            20 
      1  -0.315647D+01  0.111972D+01  0.149042D+01  0.121514D+02 -0.564742D+00
      2   0.111972D+01  0.595988D+00 -0.917496D+00 -0.564742D+00 -0.830352D+00
      3   0.149042D+01 -0.917496D+00 -0.738355D+00 -0.883514D+00 -0.272815D+00
                21            22            23            24            25 
      1  -0.883514D+00  0.538272D+01 -0.180655D+01 -0.112530D+01 -0.150969D+02
      2  -0.272815D+00 -0.180655D+01  0.237445D+01 -0.226336D+01  0.152838D+00
      3  -0.283379D+01 -0.112530D+01 -0.226336D+01 -0.137698D+01  0.869255D+00
                26            27            28            29            30 
      1   0.152838D+00  0.869255D+00 -0.337779D+02  0.795177D+00  0.102412D+01
      2  -0.100494D+01 -0.916860D+00  0.795177D+00 -0.171776D+01  0.167782D+00
      3  -0.916860D+00 -0.149733D+01  0.102412D+01  0.167782D+00 -0.272317D+01
                31            32            33            34            35 
      1   0.281185D+01 -0.530875D+01 -0.162705D+01  0.303554D+01 -0.133837D+01
      2  -0.530875D+01  0.535959D+00  0.376119D+00 -0.133837D+01 -0.129260D+00
      3  -0.162705D+01  0.376119D+00 -0.147896D+00 -0.882809D+00 -0.921771D+00
                36            37            38            39            40 
      1  -0.882809D+00  0.161201D+02 -0.564074D+00 -0.125437D+01 -0.373552D+01
      2  -0.921771D+00 -0.564074D+00 -0.196021D+01  0.140273D+01 -0.178835D+01
      3   0.502319D+00 -0.125437D+01  0.140273D+01 -0.164474D+01 -0.485634D+00
                41            42            43            44            45 
      1  -0.178835D+01 -0.485634D+00  0.132558D+02 -0.213878D+01  0.207530D+00
      2  -0.264518D+01  0.254267D+01 -0.213878D+01  0.121762D+01  0.141884D+01
      3   0.254267D+01  0.201685D+01  0.207530D+00  0.141884D+01  0.153170D+01
                46            47            48            49            50 
      1  -0.118118D+02  0.422589D+00  0.847284D+00 -0.336843D+01  0.119562D+01
      2   0.422589D+00  0.161724D+01 -0.895225D+00  0.119562D+01 -0.333942D+01
      3   0.847284D+00 -0.895225D+00  0.264481D+01  0.153550D+01  0.215921D+01
                51            52            53            54            55 
      1   0.153550D+01  0.144991D+02  0.145700D+01 -0.129854D+01 -0.188410D+02
      2   0.215921D+01  0.145700D+01 -0.119532D+00  0.149999D+01 -0.206501D+01
      3   0.106886D+01 -0.129854D+01  0.149999D+01  0.846544D+00 -0.236799D+00
                56            57            58            59            60 
      1  -0.206501D+01 -0.236799D+00 -0.678368D+01 -0.776529D+01 -0.570603D+00
      2  -0.355205D+01 -0.113444D+00 -0.776529D+01  0.252085D+01 -0.172667D+01
      3  -0.113444D+00 -0.147915D+01 -0.570603D+00 -0.172667D+01  0.156280D+00
                61            62            63            64            65 
      1  -0.695668D+01 -0.131955D+01 -0.318568D+01  0.179126D+00  0.293583D+01
      2  -0.131955D+01 -0.313407D+01  0.703254D+00  0.293583D+01  0.386963D+01
      3  -0.318568D+01  0.703254D+00  0.525141D+01 -0.209728D+00  0.370714D+00
                66            67            68            69            70 
      1  -0.209728D+00  0.128263D+02  0.691166D+01  0.832099D+00  0.672868D+01
      2   0.370714D+00  0.691166D+01 -0.140090D+01  0.218309D+01  0.144184D+01
      3   0.251144D+01  0.832099D+00  0.218309D+01  0.481536D+00  0.379709D+01
                71            72            73            74            75 
      1   0.144184D+01  0.379709D+01  0.602339D+01 -0.250780D+01 -0.979808D+00
      2   0.309190D+01  0.530390D+00 -0.250780D+01 -0.353817D+01 -0.657627D+00
      3   0.530390D+00 -0.723105D+01 -0.979808D+00 -0.657627D+00 -0.190690D+01
                76            77            78            79            80 
      1  -0.394997D+01 -0.405413D+01 -0.918964D+00 -0.228066D+01 -0.992825D+00
      2  -0.405413D+01 -0.547655D+00 -0.290332D+01 -0.992825D+00 -0.408441D+01
      3  -0.918964D+00 -0.290332D+01 -0.105357D+01 -0.269193D+01 -0.188105D+01
                81            82            83            84            85 
      1  -0.269193D+01  0.528031D+01 -0.167945D+01 -0.409703D+00 -0.412272D+01
      2  -0.188105D+01 -0.167945D+01 -0.355789D+01 -0.510863D+00 -0.584824D+01
      3   0.528149D+01 -0.409703D+00 -0.510863D+00 -0.293351D+01 -0.901732D+00
                86            87            88            89            90 
      1  -0.584824D+01 -0.901732D+00 -0.206342D+01 -0.979825D+00 -0.461499D+01
      2   0.199964D+01 -0.385945D+01 -0.979825D+00 -0.398069D+01 -0.230090D+00
      3  -0.385945D+01 -0.376014D+00 -0.461499D+01 -0.230090D+00  0.434353D+01
                91            92            93            94            95 
      1   0.776198D+01  0.171572D+01  0.185643D+01 -0.478373D+01  0.669925D+01
      2   0.171572D+01  0.197972D+01  0.358890D+00  0.669925D+01 -0.380674D+01
      3   0.185643D+01  0.358890D+00  0.159650D+01  0.167890D+01  0.573384D+00
                96            97            98            99           100 
      1   0.167890D+01  0.292612D+01  0.233592D+01  0.257373D+01  0.160482D+01
      2   0.573384D+00  0.233592D+01  0.613447D+00  0.279831D+01 -0.153900D+01
      3   0.227452D+01  0.257373D+01  0.279831D+01 -0.326397D+01 -0.175748D+01
               101           102           103           104           105 
      1  -0.153900D+01 -0.175748D+01 -0.148752D+01 -0.897241D+00  0.142746D+01
      2   0.491261D-01  0.894682D+00 -0.897241D+00  0.303243D+01 -0.178696D+01
      3   0.894682D+00  0.697342D+00  0.142746D+01 -0.178696D+01 -0.336383D+01
               106           107           108           109           110 
      1  -0.521371D+01  0.243805D+01  0.146326D+01 -0.309723D+01  0.195916D+01
      2   0.243805D+01 -0.446923D+01 -0.353344D+01  0.195916D+01 -0.100888D+01
      3   0.146326D+01 -0.353344D+01 -0.218152D+01  0.337417D+01 -0.807800D+00
               111           112           113           114           115 
      1   0.337417D+01  0.448381D+01 -0.321167D+01 -0.191535D+01  0.876293D+01
      2  -0.807800D+00 -0.321167D+01  0.468424D+01  0.386593D+01 -0.372794D+01
      3  -0.151598D+01 -0.191535D+01  0.386593D+01  0.356701D+01 -0.367717D+01
               116           117           118           119           120 
      1  -0.372794D+01 -0.367717D+01 -0.692068D-01 -0.376647D+00 -0.132310D+01
      2   0.528589D+01  0.421348D+01 -0.376647D+00  0.202021D+01 -0.276712D+00
      3   0.421348D+01  0.900194D+01 -0.132310D+01 -0.276712D+00 -0.157838D+00
               121           122           123           124           125 
      1  -0.719185D+00  0.318630D+01 -0.622747D+00 -0.479358D+01  0.930688D+00
      2   0.318630D+01 -0.710146D+01  0.381750D-01  0.930688D+00 -0.116330D+01
      3  -0.622747D+00  0.381750D-01 -0.662155D-01 -0.107391D+01  0.143795D+01
               126           127           128           129           130 
      1  -0.107391D+01  0.204011D+01  0.638648D+00 -0.206386D+01  0.132615D+00
      2   0.143795D+01  0.638648D+00  0.275590D+00 -0.423295D+00  0.192200D+00
      3  -0.403290D+01 -0.206386D+01 -0.423295D+00  0.217922D+01 -0.723452D+00
               131           132           133           134           135 
      1   0.192200D+00 -0.723452D+00 -0.240617D+01 -0.855623D+00  0.275751D+01
      2   0.381631D+00 -0.641116D+00 -0.855623D+00 -0.116366D+01  0.162402D+01
      3  -0.641116D+00  0.221243D+01  0.275751D+01  0.162402D+01 -0.728831D+01
               136           137           138           139           140 
      1  -0.360726D+01  0.888627D+00 -0.207734D+01  0.151942D+01 -0.592824D+00
      2   0.888627D+00 -0.639196D+00  0.573360D+00 -0.592824D+00  0.589816D+00
      3  -0.207734D+01  0.573360D+00 -0.186385D+01  0.113448D+01 -0.575149D+00
               141           142           143           144           145 
      1   0.113448D+01 -0.252131D+01  0.863212D+00 -0.270089D+01 -0.206590D+01
      2  -0.575149D+00  0.863212D+00 -0.111158D+01  0.142336D+01 -0.714265D+00
      3   0.187478D+01 -0.270089D+01  0.142336D+01 -0.485609D+01  0.204852D+01
               146           147           148           149           150 
      1  -0.714265D+00  0.204852D+01 -0.496674D+00 -0.230185D+00  0.753349D+00
      2  -0.382122D+00  0.693667D+00 -0.230185D+00 -0.626193D+00  0.870625D+00
      3   0.693667D+00 -0.220311D+01  0.753349D+00  0.870625D+00 -0.228261D+01
               151           152           153           154           155 
      1   0.205414D+01  0.101111D+01 -0.267746D+01  0.361881D+01 -0.107404D+01
      2   0.101111D+01  0.162950D+01 -0.240231D+01 -0.107404D+01  0.873244D+00
      3  -0.267746D+01 -0.240231D+01  0.732954D+01  0.256918D+01 -0.109962D+01
               156           157           158           159           160 
      1   0.256918D+01 -0.188203D+01  0.720191D+00 -0.128295D+01  0.271667D+01
      2  -0.109962D+01  0.720191D+00 -0.857902D+00  0.897856D+00 -0.124222D+01
      3   0.236347D+01 -0.128295D+01  0.897856D+00 -0.204350D+01  0.304779D+01
               161           162           163           164           165 
      1  -0.124222D+01  0.304779D+01  0.128682D+01 -0.451681D-01 -0.154349D+01
      2   0.161206D+01 -0.215544D+01 -0.451681D-01  0.765485D+00  0.314804D+00
      3  -0.215544D+01  0.531783D+01 -0.154349D+01  0.314804D+00  0.141572D+01
               166           167           168           169           170 
      1   0.183217D+01  0.122501D+01 -0.284055D-01 -0.380981D+01  0.137755D+00
      2   0.122501D+01 -0.409940D+00 -0.721892D+00  0.137755D+00 -0.115399D+01
      3  -0.284055D-01 -0.721892D+00  0.263356D-01  0.248306D+01 -0.123568D+01
               171           172           173           174           175 
      1   0.248306D+01  0.464535D+01 -0.191374D+01  0.687209D+00 -0.439870D+01
      2  -0.123568D+01 -0.191374D+01  0.235947D+01 -0.931704D-01  0.364073D+01
      3  -0.619556D+01  0.687209D+00 -0.931704D-01  0.389518D+00 -0.249429D+00
               176           177           178           179           180 
      1   0.364073D+01 -0.249429D+00  0.554192D+01 -0.476798D+00  0.112054D+01
      2  -0.668388D+01  0.911452D+00 -0.476798D+00  0.213287D+01 -0.111537D+01
      3   0.911452D+00 -0.779019D+00  0.112054D+01 -0.111537D+01  0.345603D+00
               181           182           183           184           185 
      1  -0.876201D+00 -0.786292D+00  0.128573D+01 -0.174685D+01 -0.917778D+00
      2  -0.786292D+00 -0.899791D+00 -0.832831D-01 -0.917778D+00  0.190268D+00
      3   0.128573D+01 -0.832831D-01 -0.106473D+01  0.959664D-01  0.696664D+00
               186           187           188           189           190 
      1   0.959664D-01  0.220464D+01  0.140540D+00 -0.670011D+00 -0.880628D+01
      2   0.696664D+00  0.140540D+00  0.108244D+01  0.205082D-01  0.610287D+00
      3   0.520689D-02 -0.670011D+00  0.205082D-01  0.736092D+01  0.359206D+00
               191           192           193           194           195 
      1   0.610287D+00  0.359206D+00  0.179646D+00 -0.133687D+01  0.776550D-01
      2  -0.235726D+01  0.105695D+00 -0.133687D+01  0.745797D+00  0.338068D+00
      3   0.105695D+00 -0.625903D+00  0.776550D-01  0.338068D+00  0.361384D+00
               196           197           198           199           200 
      1   0.407853D+00 -0.116767D+00 -0.328792D+00  0.427357D+00  0.639244D+00
      2  -0.116767D+00  0.575103D+00  0.562621D+00  0.639244D+00  0.953482D+00
      3  -0.328792D+00  0.562621D+00 -0.341450D+00 -0.105704D+01 -0.323004D+00
               201           202           203           204           205 
      1  -0.105704D+01  0.295885D+00  0.597465D+00 -0.997325D-01 -0.175175D+01
      2  -0.323004D+00  0.597465D+00  0.796047D+00 -0.731541D+00 -0.542340D+00
      3   0.138664D+01 -0.997325D-01 -0.731541D+00  0.551016D+00  0.152868D+01
               206           207           208           209           210 
      1  -0.542340D+00  0.152868D+01  0.240550D+01  0.267804D+01  0.898639D+00
      2  -0.191814D+01  0.190621D+01  0.267804D+01  0.340059D+01  0.692450D+00
      3   0.190621D+01 -0.668550D+01  0.898639D+00  0.692450D+00  0.926958D+00
               211           212           213           214           215 
      1   0.226571D+01  0.339138D+01  0.873457D+00  0.188287D+01  0.152103D+01
      2   0.339138D+01  0.698185D+01  0.196261D+01  0.152103D+01  0.349212D+01
      3   0.873457D+00  0.196261D+01  0.133607D+01  0.127580D+01  0.187286D+01
               216           217           218           219           220 
      1   0.127580D+01  0.210348D+01  0.101718D+00 -0.165415D+01  0.378710D+00
      2   0.187286D+01  0.101718D+00  0.604132D+00  0.608769D-01  0.122146D+01
      3   0.111665D+01 -0.165415D+01  0.608769D-01  0.170270D+01  0.199110D-01
               221           222           223           224           225 
      1   0.122146D+01  0.199110D-01 -0.450638D+01  0.124617D+00  0.340930D+01
      2  -0.169138D+00 -0.460150D+00  0.124617D+00 -0.902206D+00 -0.602045D-01
      3  -0.460150D+00  0.733547D-01  0.340930D+01 -0.602045D-01 -0.597413D+01
               226           227           228           229           230 
      1   0.187189D+01 -0.177603D+01  0.900905D+00 -0.402496D+01  0.340406D+01
      2  -0.177603D+01  0.175177D+01 -0.540229D+00  0.340406D+01 -0.575504D+01
      3   0.900905D+00 -0.540229D+00  0.860421D+00 -0.110420D+01  0.203725D+01
               231           232           233           234           235 
      1  -0.110420D+01  0.197304D+01 -0.953199D+00  0.171188D+01  0.463445D+01
      2   0.203725D+01 -0.953199D+00  0.221332D+01 -0.137943D+01  0.251441D+01
      3  -0.155519D+01  0.171188D+01 -0.137943D+01  0.120138D+01  0.174668D+01
               236           237           238           239           240 
      1   0.251441D+01  0.174668D+01  0.589653D+01  0.373280D+01  0.167684D+01
      2   0.197015D+01  0.916588D+00  0.373280D+01  0.362541D+01  0.188928D+01
      3   0.916588D+00  0.135790D+01  0.167684D+01  0.188928D+01  0.161293D+01
               241           242           243           244           245 
      1   0.373064D+01  0.153138D+01  0.254365D+01  0.124086D-01 -0.843104D+00
      2   0.153138D+01  0.205409D+01  0.139951D+01 -0.843104D+00 -0.686776D+00
      3   0.254365D+01  0.139951D+01  0.166550D+01  0.124638D+01  0.240396D+00
               246           247           248           249           250 
      1   0.124638D+01 -0.121888D+01 -0.119836D+01  0.401781D+00  0.263183D+01
      2   0.240396D+00 -0.119836D+01 -0.967491D+00  0.116474D+01  0.458626D+00
      3  -0.112413D+01  0.401781D+00  0.116474D+01 -0.159048D+01 -0.184078D+01
               251           252           253           254           255 
      1   0.458626D+00 -0.184078D+01  0.835866D+01 -0.746259D+00 -0.189318D+01
      2   0.155179D+01 -0.142493D+01 -0.746259D+00 -0.336372D+01 -0.106750D+01
      3  -0.142493D+01  0.523609D+01 -0.189318D+01 -0.106750D+01 -0.155726D+01
               256           257           258           259           260 
      1  -0.426008D+01 -0.296747D+01 -0.144774D+01 -0.705662D+01 -0.183690D+01
      2  -0.296747D+01  0.523179D+01 -0.293753D+00 -0.183690D+01 -0.179305D+01
      3  -0.144774D+01 -0.293753D+00 -0.241792D+01 -0.215776D+01 -0.249487D+01
               261           262           263           264           265 
      1  -0.215776D+01 -0.131133D+01  0.171126D+01 -0.711495D+00  0.272143D+01
      2  -0.249487D+01  0.171126D+01 -0.194827D+01  0.533404D+00 -0.393245D+01
      3   0.276371D+01 -0.711495D+00  0.533404D+00 -0.513985D+00  0.103542D+01
               266           267           268           269           270 
      1  -0.393245D+01  0.103542D+01 -0.150567D-01 -0.271511D+00 -0.384867D+00
      2   0.933841D+01 -0.201122D+01 -0.271511D+00  0.448779D+00  0.666880D+00
      3  -0.201122D+01  0.170669D+01 -0.384867D+00  0.666880D+00 -0.819771D+00
               271           272           273           274           275 
      1  -0.432326D+00  0.405005D+00 -0.492436D+00  0.140984D+01  0.288225D+00
      2   0.405005D+00  0.531887D+00  0.216808D+00  0.288225D+00  0.293231D+00
      3  -0.492436D+00  0.216808D+00  0.423564D+00  0.389170D+00 -0.648863D+00
               276           277           278           279           280 
      1   0.389170D+00 -0.177213D+01 -0.204204D+00 -0.719040D+00 -0.155908D+02
      2  -0.648863D+00 -0.204204D+00 -0.120465D+01  0.337760D+00 -0.189163D+01
      3   0.131928D+01 -0.719040D+00  0.337760D+00 -0.608125D+01 -0.335347D+00
               281           282           283           284           285 
      1  -0.189163D+01 -0.335347D+00  0.762611D+00 -0.120550D+01  0.154935D+00
      2  -0.133454D+01 -0.186844D+00 -0.120550D+01 -0.650448D+00  0.875075D-01
      3  -0.186844D+00 -0.102888D+01  0.154935D+00  0.875075D-01  0.340693D+00
               286           287           288           289           290 
      1   0.209717D+01  0.487759D+00 -0.106406D+01 -0.186100D-01 -0.812900D+00
      2   0.487759D+00  0.545942D+00  0.100153D+00 -0.812900D+00  0.207723D+01
      3  -0.106406D+01  0.100153D+00  0.331822D-01  0.226532D+00  0.409501D+00
               291           292           293           294           295 
      1   0.226532D+00 -0.159883D+01 -0.410452D+00 -0.117607D+00  0.969493D+00
      2   0.409501D+00 -0.410452D+00 -0.940104D+01 -0.102766D+01  0.309904D+00
      3   0.469095D+00 -0.117607D+00 -0.102766D+01 -0.104082D+01  0.129003D+00
               296           297 
      1   0.309904D+00  0.129003D+00
      2   0.524355D+00 -0.779733D+00
      3  -0.779733D+00 -0.398105D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319960D+00 -0.227438D+01  0.759677D+00 -0.726675D+01 -0.243342D+01
      2   0.413821D+01 -0.267646D+01  0.944192D+01 -0.305099D+01  0.210013D+01
      3   0.223997D+02 -0.297543D+01  0.303657D+01  0.748856D+01 -0.202921D+01
                 6             7             8             9            10 
      1  -0.210409D+01 -0.220357D+01  0.167778D+01 -0.461638D+00  0.307539D-01
      2  -0.337981D+01 -0.370741D+01 -0.130655D+01  0.290397D+01  0.145149D+01
      3   0.216253D+01  0.169927D+02 -0.106598D+00  0.297085D+01 -0.370817D+02
                11            12            13            14            15 
      1   0.135135D+00  0.206144D+01  0.171170D+01  0.414175D+01 -0.906545D+01
      2   0.890166D+00 -0.439437D+01  0.588467D+01  0.236728D-01  0.426616D+00
      3  -0.656564D+00  0.757268D+00  0.115043D+02 -0.160415D+01 -0.179152D-01
                16            17            18            19            20 
      1  -0.292516D+01 -0.154123D+01 -0.401015D+01  0.910533D+00  0.149086D+01
      2  -0.282238D+02 -0.183212D+01 -0.259847D+01 -0.601019D+01 -0.112006D+01
      3  -0.266946D+01 -0.928673D+00 -0.233342D+01 -0.162994D+02 -0.243664D+00
                21            22            23            24            25 
      1  -0.151068D+01  0.590735D+01 -0.193422D+01 -0.330339D+01  0.403995D+01
      2   0.365472D+01 -0.461037D+01 -0.238841D+01  0.115331D+01  0.396412D+00
      3   0.280567D+01  0.571743D+01  0.206207D+01 -0.294134D+01  0.221076D+02
                26            27            28            29            30 
      1   0.134868D+01 -0.164391D+01 -0.896178D+00  0.193598D+01 -0.214054D+01
      2   0.948955D-01 -0.188873D+01  0.434915D+01  0.964310D+00 -0.367930D+01
      3  -0.215043D+01 -0.475176D+01  0.379263D+02 -0.124324D+01 -0.285117D+01
                31            32            33            34            35 
      1  -0.645322D+00  0.362073D+01 -0.984784D+01 -0.493168D+01 -0.787304D+00
      2   0.589926D+01  0.141795D+00  0.233153D+01 -0.300402D+02  0.479205D+01
      3   0.801603D+01  0.525939D+01  0.118983D+01 -0.878835D+01 -0.108300D+01
                36            37            38            39            40 
      1  -0.301626D+01 -0.104636D+01 -0.643301D+00 -0.168888D+01 -0.601579D+01
      2   0.335777D+00  0.282055D+01 -0.288305D+01  0.821207D+01 -0.393775D+01
      3   0.143980D+01 -0.180993D+02 -0.930708D+00  0.342839D+01  0.149333D+02
                41            42            43            44            45 
      1   0.195329D+01  0.928349D+00 -0.931371D+00  0.302691D+01  0.194327D+01
      2   0.169761D+01 -0.168148D+01 -0.591096D+01 -0.109808D+01  0.202325D+01
      3  -0.563036D+00  0.313171D+01 -0.135369D+02  0.425659D+01  0.245512D+01
                46            47            48            49            50 
      1   0.590501D-01  0.728386D+00  0.296619D+01  0.875650D+01  0.169586D+01
      2  -0.362789D+01 -0.201471D+01  0.425985D+01 -0.461061D+01 -0.165058D+01
      3   0.163106D+02 -0.172579D+01 -0.129217D+01  0.150109D+02  0.875426D+00
                51            52            53            54            55 
      1  -0.236740D+01  0.301381D+01  0.341764D+01  0.360176D+00 -0.207820D+01
      2   0.106074D+01 -0.474612D+00  0.157971D+01 -0.258368D+01 -0.452514D+01
      3  -0.469160D+01 -0.125588D+02 -0.171728D+01 -0.958821D+00  0.201750D+02
                56            57            58            59            60 
      1  -0.293353D+00 -0.694310D+00 -0.592602D+00 -0.552895D+01 -0.829727D+00
      2   0.357085D+00 -0.523536D+00 -0.198084D+01 -0.109629D+02  0.219430D+01
      3   0.991522D+01  0.363680D+00  0.387572D+02  0.130894D+00  0.641894D+01
                61            62            63            64            65 
      1  -0.449895D-01  0.401343D+01  0.433407D+01  0.259054D+01  0.122220D+01
      2  -0.220744D+02  0.820756D+00  0.207055D+02  0.374778D+01  0.145645D+01
      3   0.115196D+02  0.115505D+02  0.165406D+01 -0.210652D+02 -0.200731D+02
                66            67            68            69            70 
      1  -0.172484D+01 -0.750397D-01 -0.149185D+01 -0.208780D+01  0.452676D+00
      2   0.131791D+02  0.539802D+01  0.107629D+02 -0.446316D-02  0.130009D+02
      3  -0.178405D+01 -0.293805D+02  0.445522D+01 -0.904025D+01 -0.125824D+02
                71            72            73            74            75 
      1   0.465182D+01  0.462699D+01  0.158241D+01  0.207303D+01  0.474159D+01
      2   0.315574D+01 -0.336493D+02 -0.334867D+00 -0.407106D+01 -0.475022D+01
      3  -0.132945D+02 -0.235288D+01  0.266859D+02  0.373257D+01  0.108032D+01
                76            77            78            79            80 
      1   0.323630D+01  0.936426D+01  0.152101D+01  0.691174D+01  0.826600D+01
      2  -0.529267D+01 -0.108338D+02 -0.382654D+01 -0.118064D+02 -0.656427D+01
      3   0.106940D+02 -0.571495D+01  0.850239D+01  0.190698D+01  0.120645D+02
                81            82            83            84            85 
      1  -0.116309D+02 -0.379058D+00 -0.535551D+00  0.367612D+00 -0.442893D+00
      2   0.180477D+02 -0.532312D+01 -0.223019D+01 -0.152180D+02 -0.401923D+01
      3   0.286182D+01  0.856997D+01  0.187331D+02  0.284869D+01  0.388071D+02
                86            87            88            89            90 
      1   0.134758D+01 -0.253368D+01  0.816415D+00  0.749080D+00 -0.129283D+01
      2  -0.214203D+02 -0.515304D+00 -0.308952D+02 -0.105704D+01  0.256548D+02
      3  -0.124870D+02  0.224502D+02  0.514621D+01  0.226019D+02  0.139500D+01
                91            92            93            94            95 
      1   0.193233D+01 -0.123489D+01  0.157844D+01  0.851471D+00 -0.173207D+01
      2  -0.122683D+02  0.360015D+00 -0.140964D+01 -0.585222D+00 -0.474915D+01
      3  -0.787133D+01  0.107097D+01 -0.573579D+00  0.395000D+02 -0.184627D+02
                96            97            98            99           100 
      1  -0.191662D+01  0.140348D+01  0.578281D+01 -0.270893D+00  0.162273D+01
      2  -0.102016D+02 -0.179286D+02 -0.101648D+02  0.117316D+02  0.535194D+01
      3  -0.140405D+01  0.304183D+01 -0.109853D+01  0.710137D+01  0.157478D+02
               101           102           103           104           105 
      1   0.193956D+01 -0.420185D+01  0.782341D+00 -0.164680D+01  0.182903D+01
      2  -0.378575D+01  0.683910D+01 -0.151321D+01  0.566722D+01  0.188139D+02
      3  -0.152419D+02  0.198573D+01 -0.569917D+01  0.165379D+01 -0.447869D+01
               106           107           108           109           110 
      1  -0.328489D+01 -0.301186D+01  0.454133D+01 -0.369541D+01 -0.248795D+01
      2  -0.241378D+01  0.139173D+02  0.931401D+01 -0.817263D+01  0.218730D+01
      3   0.151715D+02 -0.158155D+02 -0.108362D+02 -0.597559D+00 -0.124551D+01
               111           112           113           114           115 
      1   0.243450D+01 -0.219312D+01  0.445887D+01 -0.658988D+01  0.550284D+00
      2   0.512134D+01 -0.209116D+01 -0.106548D+02 -0.147394D+02  0.263498D+01
      3  -0.369318D+00 -0.755397D+01  0.198017D+02  0.127227D+02 -0.173193D+02
               116           117           118           119           120 
      1   0.764879D+01 -0.100173D+02  0.291498D+01 -0.105504D+00  0.444156D+00
      2  -0.126972D+02 -0.318936D+02  0.392583D+01  0.734035D+00  0.197370D+01
      3   0.201097D+02  0.131330D+02 -0.455616D+01  0.551524D+01 -0.291689D+01
               121           122           123           124           125 
      1   0.216131D+00  0.329987D+01 -0.121407D+01 -0.152581D+01  0.679359D+01
      2   0.285501D+01  0.154580D+01 -0.886161D+00 -0.428914D+00 -0.424677D+01
      3   0.931165D+01 -0.212223D+02 -0.837300D+00  0.330844D+01 -0.497580D+01
               126           127           128           129           130 
      1   0.723785D+01 -0.196565D+01 -0.205575D+01  0.108757D+01 -0.213825D+00
      2   0.153790D+02  0.456787D+01  0.923627D+00 -0.107297D+01  0.366604D+00
      3   0.549220D+01 -0.307696D+00 -0.105332D+01  0.953231D+00  0.973543D+00
               131           132           133           134           135 
      1  -0.132849D+01 -0.485800D-01  0.285526D+01  0.519930D+01 -0.490407D+01
      2  -0.761149D-01  0.553248D+00 -0.472079D+01 -0.316772D+00 -0.177005D+01
      3  -0.544077D+00  0.449653D+00  0.116325D+01  0.220687D+01 -0.181937D+01
               136           137           138           139           140 
      1  -0.207472D+01  0.289176D+01 -0.767669D+00  0.114944D+01 -0.127057D+01
      2  -0.769395D+01  0.131342D+01 -0.144546D+01  0.166743D+01 -0.462813D+00
      3   0.140979D+00 -0.136577D+01  0.579391D+00  0.394877D+00  0.130839D+01
               141           142           143           144           145 
      1  -0.605864D+00 -0.196212D+01  0.405118D+01 -0.291425D+01  0.182242D+01
      2   0.131759D+00 -0.448875D+01  0.442989D+00  0.777151D+00  0.432058D+01
      3  -0.119602D+00  0.509822D+00 -0.227194D+01  0.153700D+01  0.263457D+01
               146           147           148           149           150 
      1  -0.917505D+00 -0.225490D+01  0.108559D+01 -0.150326D-01 -0.341113D+01
      2   0.496446D+00 -0.101409D+01  0.851717D+00 -0.192420D+00  0.503935D+00
      3   0.143399D-01 -0.192743D+01  0.149387D+01 -0.362701D+00 -0.533578D+00
               151           152           153           154           155 
      1  -0.183881D+01  0.209130D+01  0.580774D+01  0.263354D+01  0.126770D+01
      2  -0.414678D+01 -0.360584D+00 -0.101816D+01 -0.538509D+01  0.200302D+00
      3  -0.242996D+01  0.100737D+01  0.173055D+01 -0.496378D+01 -0.795076D+00
               156           157           158           159           160 
      1   0.233820D+01 -0.153949D+01  0.165555D+00 -0.357656D+01  0.254767D+01
      2  -0.337240D+00  0.104657D+01  0.184791D+00 -0.801475D+00 -0.282856D+01
      3  -0.235066D+01  0.390249D+01  0.601022D+00  0.736968D+00 -0.308875D+01
               161           162           163           164           165 
      1   0.144117D+01  0.439129D+01 -0.131924D+01 -0.613389D+00  0.115882D+01
      2  -0.257819D+00  0.217787D+01 -0.532763D+01  0.734578D+00  0.562123D+01
      3  -0.125449D+01 -0.197729D+01 -0.184098D+01 -0.357174D+01  0.603641D+00
               166           167           168           169           170 
      1   0.189887D+00 -0.337264D+00 -0.939074D+00  0.216763D+01  0.213691D+01
      2   0.672785D+00 -0.125207D+01  0.419019D+00  0.259830D+01 -0.409748D+01
      3  -0.358693D+01  0.278292D+00  0.182038D+01  0.316558D+01  0.409100D+01
               171           172           173           174           175 
      1  -0.616548D+01  0.917589D+00 -0.994888D+00  0.137839D+01 -0.153149D+01
      2  -0.205513D+02  0.518832D+01 -0.155864D+01  0.318948D+01 -0.283849D+01
      3   0.346423D+00  0.897310D+00 -0.720236D+01 -0.222573D+00 -0.449402D+01
               176           177           178           179           180 
      1   0.332983D+01 -0.330590D+01  0.166307D+01 -0.121586D+01  0.120249D+01
      2   0.596656D+01 -0.370306D+01  0.389733D+01 -0.430987D+01  0.946385D+00
      3   0.179954D+02 -0.215603D+01 -0.402285D+01 -0.683489D+01  0.198389D+01
               181           182           183           184           185 
      1  -0.269457D+01 -0.163234D+01  0.872971D+00 -0.119970D+01 -0.350948D+00
      2   0.816220D+01  0.700123D+00 -0.490010D+01  0.215185D+01  0.366503D+01
      3   0.258142D+01  0.275439D+01  0.480379D+00  0.552599D+01 -0.712858D+00
               186           187           188           189           190 
      1  -0.537933D+00  0.157449D+01  0.338999D+01 -0.415365D+01  0.746220D+00
      2  -0.564468D+00 -0.862896D+01 -0.837237D+00  0.302666D+02 -0.204267D+01
      3  -0.269881D+01  0.246352D+00 -0.373712D+01 -0.542243D+00 -0.264349D+02
               191           192           193           194           195 
      1   0.625130D+00  0.218814D+01  0.587089D-01 -0.862278D+00 -0.103562D+01
      2   0.517007D+00 -0.297467D+00  0.337481D+00  0.807437D+00  0.212744D+00
      3   0.642598D+01  0.365908D+00  0.650857D+01 -0.395058D+01 -0.116424D+01
               196           197           198           199           200 
      1   0.236887D+01  0.641767D+00  0.701451D+00  0.239486D+01 -0.209743D-01
      2  -0.347728D+01  0.111803D+01 -0.108797D+01 -0.337429D+01 -0.119187D+01
      3   0.640518D+00 -0.225429D+01 -0.281093D+01 -0.237116D+01 -0.344232D+01
               201           202           203           204           205 
      1  -0.299218D+01  0.270659D+00  0.124757D+01 -0.209812D+01 -0.305464D+01
      2   0.505654D+01 -0.388083D+00 -0.210272D+01  0.123871D+01  0.944530D+00
      3  -0.367948D+00 -0.569241D+00 -0.152872D+01  0.209449D+01 -0.207307D+01
               206           207           208           209           210 
      1  -0.193328D+00  0.150250D+02 -0.257489D+01 -0.210468D+01 -0.366876D+01
      2   0.604891D+01 -0.223559D+02  0.343011D+01  0.293826D+01  0.442830D+01
      3   0.685775D+01 -0.495404D+01 -0.490774D+01 -0.915163D+01 -0.619971D+00
               211           212           213           214           215 
      1  -0.347897D+01 -0.569238D+01 -0.577766D+01 -0.353025D+01 -0.343497D+01
      2   0.318631D+01  0.755410D+01  0.579008D+01  0.358499D+01  0.680615D+01
      3  -0.355792D+01 -0.193409D+02 -0.498030D+01 -0.978821D+00 -0.104276D+02
               216           217           218           219           220 
      1  -0.345672D+01  0.377328D+00 -0.380798D+00 -0.124895D+00  0.194090D+00
      2   0.417444D+01 -0.978757D+01  0.262094D+00  0.112544D+02  0.105593D-01
      3  -0.447957D+01 -0.416653D+00 -0.433765D+01 -0.406270D+00 -0.504005D+01
               221           222           223           224           225 
      1   0.666459D-01 -0.852682D+00 -0.778619D+00  0.245703D+01  0.112843D+01
      2  -0.250799D+01  0.333406D+00  0.162673D+02 -0.276741D+00 -0.353303D+02
      3   0.100219D+01  0.211214D+01 -0.933107D+00  0.594857D+01  0.756535D-01
               226           227           228           229           230 
      1  -0.886059D+00  0.833718D+00  0.348030D+00  0.984377D+00 -0.284489D+01
      2   0.444554D+01 -0.249890D+01  0.529317D+01 -0.418353D+01  0.107759D+02
      3   0.959592D+01 -0.109154D+02  0.312628D+01 -0.152599D+02  0.328058D+02
               231           232           233           234           235 
      1  -0.137881D+01 -0.367489D+00  0.201336D+01  0.762028D-01  0.396545D+00
      2  -0.958427D+01  0.712341D+01 -0.743909D+01  0.614227D+01  0.794415D+01
      3  -0.113313D+02  0.470113D+01 -0.129183D+02  0.728499D+01 -0.123058D+02
               236           237           238           239           240 
      1   0.890410D+00 -0.881499D+00  0.460610D+00  0.138715D+01 -0.148821D+01
      2   0.425993D+01  0.903262D+01  0.691866D+01  0.961865D+01  0.975537D+01
      3  -0.128155D+02 -0.494909D+01 -0.174655D+02 -0.209574D+02 -0.104367D+02
               241           242           243           244           245 
      1  -0.642207D+00  0.157958D+01 -0.655732D+00  0.114434D+00 -0.389085D+00
      2   0.114699D+02  0.733345D+01  0.872073D+01 -0.518356D+01 -0.549135D+00
      3  -0.727906D+01 -0.123171D+02 -0.741576D+01 -0.312767D+01 -0.228839D+01
               246           247           248           249           250 
      1  -0.667665D+00 -0.172327D+00  0.258050D+00 -0.177414D+01 -0.507580D+00
      2   0.381328D+01 -0.187218D+00 -0.299982D+01  0.557931D+01  0.126807D+01
      3   0.872932D-01 -0.114678D+01 -0.227415D+01  0.316414D+01 -0.694774D+00
               251           252           253           254           255 
      1   0.208094D+01  0.268970D+01 -0.187172D+01  0.842389D+00 -0.239057D+01
      2   0.459594D+01 -0.167742D+02  0.188339D+02  0.505245D+01  0.848227D+01
      3   0.461713D+01 -0.349388D+01 -0.159030D+02 -0.134066D+02 -0.947347D+00
               256           257           258           259           260 
      1  -0.135931D+01 -0.591003D+01 -0.603348D+01 -0.123407D+01 -0.119144D+01
      2   0.486019D+01 -0.673881D+00  0.867334D+01  0.610971D+01  0.970170D+01
      3  -0.458157D+01  0.248171D+02  0.157686D+01  0.795549D+00 -0.215525D+01
               261           262           263           264           265 
      1   0.814002D+01  0.290755D-01  0.489472D+00  0.975844D+00  0.593016D+00
      2  -0.155276D+02  0.156629D+01 -0.115173D+01  0.186293D+01 -0.224019D+01
      3  -0.694148D+01  0.362226D+01 -0.480022D+01  0.171039D+01 -0.879068D+01
               266           267           268           269           270 
      1  -0.336172D+01 -0.358609D+01 -0.444506D+00  0.528879D+00 -0.343774D+00
      2   0.566732D+01 -0.622486D+01  0.538908D+00 -0.172277D+01  0.229351D+01
      3   0.305623D+02 -0.647564D+01 -0.704291D+00  0.172550D+01  0.210667D+01
               271           272           273           274           275 
      1  -0.189747D+01 -0.755190D+00  0.468162D+00 -0.124021D+00 -0.265102D+01
      2   0.454313D+01  0.177036D+00 -0.227598D+01  0.126488D+01  0.338953D+01
      3   0.219741D+01  0.107464D+01  0.101593D+01  0.695538D+00  0.107036D+01
               276           277           278           279           280 
      1   0.217087D+01 -0.269679D+00  0.462536D+01 -0.105567D+02  0.854439D+00
      2  -0.568631D+01 -0.223790D+01 -0.247401D+01  0.244690D+02 -0.913948D+01
      3  -0.283867D+01  0.117543D+01 -0.440514D+01  0.283780D+01  0.148058D+02
               281           282           283           284           285 
      1   0.744535D+00 -0.194504D+01  0.103256D+01  0.552603D+00  0.585349D-01
      2  -0.251939D+00  0.761579D+01 -0.910795D+00 -0.107476D+01 -0.116918D+01
      3  -0.606566D+01 -0.704095D+00 -0.449738D+01 -0.898358D+00  0.276374D+00
               286           287           288           289           290 
      1  -0.189978D+01  0.865898D+00 -0.142950D+00  0.112977D+01 -0.670750D+00
      2   0.429973D+01 -0.693114D+00 -0.364419D+00 -0.809561D+00 -0.208063D+01
      3  -0.117703D+01  0.160527D+01  0.204579D+01 -0.485190D+01  0.763424D+01
               291           292           293           294           295 
      1   0.148457D+01 -0.411150D+00  0.604181D+01 -0.361743D+01  0.722878D+00
      2  -0.159398D+01 -0.931628D+00  0.443415D+01  0.379710D+01 -0.165905D+01
      3   0.594901D+00  0.434618D+01 -0.333155D+02 -0.288294D+01 -0.755445D+00
               296           297 
      1  -0.426352D+00 -0.109945D+00
      2   0.263409D+01  0.154973D+01
      3   0.110378D+01 -0.278436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194712D+01 -0.866368D+01  0.202347D+02  0.183808D+02 -0.329800D+01
      2   0.604793D+01  0.409637D+01 -0.753419D+01 -0.439416D+01  0.404334D+01
      3  -0.410081D+01  0.456731D+01 -0.127006D+02 -0.139867D+02 -0.745340D+00
      4  -0.382172D+01  0.371860D+01 -0.534564D+00  0.921313D+01  0.442420D+01
      5   0.160188D+02  0.123295D+01 -0.792966D+01 -0.423491D+01 -0.272630D+01
      6   0.175348D+01 -0.322329D+01 -0.580016D+00 -0.124483D+01  0.408948D+01
                 6             7             8             9            10 
      1  -0.166555D+02 -0.253597D+02 -0.103366D+02  0.571729D+01  0.583160D+02
      2   0.122889D+01  0.320827D+01  0.206941D+01  0.441339D+01 -0.224682D+02
      3   0.154266D+02  0.221514D+02  0.826721D+01 -0.101307D+02 -0.358479D+02
      4  -0.396040D+01  0.256028D+01 -0.193540D+01 -0.539474D+01 -0.111005D+02
      5  -0.479986D+01  0.730220D+01 -0.464658D+01  0.683174D+01 -0.206016D+01
      6   0.121471D+02 -0.652463D+01  0.461532D+01  0.137014D+02  0.823680D+00
                11            12            13            14            15 
      1   0.766774D+01 -0.502135D+00  0.109838D+02 -0.591403D+00  0.610304D+01
      2  -0.613479D+01  0.297688D+01 -0.112995D+02  0.720536D+01 -0.569445D+00
      3  -0.153295D+01 -0.247475D+01  0.315644D+00 -0.661396D+01 -0.553359D+01
      4   0.143910D+01 -0.374254D+01  0.177947D+02 -0.518034D+01 -0.154433D+01
      5  -0.426385D+01  0.748947D+01  0.100971D+02 -0.744119D+00 -0.210104D+01
      6   0.519666D+00 -0.591788D+01 -0.494638D+01  0.373551D+01  0.761907D+01
                16            17            18            19            20 
      1  -0.971606D+01  0.724509D+01 -0.181879D+02 -0.239542D+01  0.576405D+01
      2   0.162961D+00  0.342590D+01  0.169379D+01 -0.425204D+00 -0.289954D+01
      3   0.955310D+01 -0.106710D+02  0.164942D+02  0.282063D+01 -0.286451D+01
      4   0.148832D+02  0.414424D+00 -0.715853D+00  0.474780D+01 -0.139348D+01
      5  -0.133375D+02 -0.182865D+01 -0.349379D+01 -0.140369D+02  0.215966D+01
      6  -0.481254D+01  0.233588D+01 -0.447465D+01  0.138390D+01  0.440947D+01
                21            22            23            24            25 
      1  -0.247742D+02 -0.118785D+02 -0.421087D+01 -0.713590D+01  0.257724D+02
      2   0.656038D+01 -0.145456D+01  0.558576D+01  0.356756D+00 -0.201749D+01
      3   0.182138D+02  0.133331D+02 -0.137489D+01  0.677915D+01 -0.237549D+02
      4   0.225623D+01  0.515953D+01 -0.192839D+01  0.378769D+01  0.302050D+01
      5  -0.375381D+01  0.767068D+00  0.235385D+01  0.752998D+01  0.827582D+01
      6   0.521300D+01  0.164840D+01  0.315334D+01  0.801920D+01  0.116773D+02
                26            27            28            29            30 
      1  -0.891876D+01  0.750169D+01  0.253350D+02 -0.432438D+01  0.244923D+01
      2   0.212245D+01 -0.120140D+01 -0.798670D+01  0.638885D+01  0.510147D+00
      3   0.679631D+01 -0.630029D+01 -0.173483D+02 -0.206447D+01 -0.295938D+01
      4   0.448512D+01  0.721553D+01  0.164845D+02  0.336474D+01 -0.164324D+01
      5   0.599694D+01 -0.489121D+01  0.163428D+01 -0.101974D+01  0.881462D+01
      6   0.193921D+01  0.105564D+02  0.575836D+01 -0.981153D+00  0.521814D+01
                31            32            33            34            35 
      1  -0.439956D+01 -0.996319D+00  0.865949D+01 -0.905834D+01  0.951756D+01
      2   0.928887D+01  0.531755D+01 -0.249290D+01  0.281706D+01  0.175674D+01
      3  -0.488931D+01 -0.432123D+01 -0.616659D+01  0.624128D+01 -0.112743D+02
      4   0.168376D+02  0.564402D+00  0.157478D+01  0.112857D+02  0.553677D+01
      5   0.137635D+02 -0.334339D+00  0.173927D+01 -0.160902D+02  0.420454D+01
      6  -0.168674D+01  0.336077D+01  0.645767D+01 -0.719294D+00  0.196072D+01
                36            37            38            39            40 
      1  -0.204376D+02  0.915559D+01 -0.107535D+02  0.226838D+02  0.513502D+01
      2   0.373896D+01  0.419584D+00  0.911445D+01 -0.116799D+02  0.377179D+01
      3   0.166987D+02 -0.957518D+01  0.163903D+01 -0.110040D+02 -0.890681D+01
      4   0.195627D+01 -0.809664D+01 -0.415823D+00  0.337978D+01  0.150763D+02
      5  -0.899381D+00  0.152722D+02  0.170595D+01 -0.964154D+01  0.734930D+00
      6  -0.636893D+01 -0.164622D+01 -0.482619D+01  0.507113D+01 -0.196620D+00
                41            42            43            44            45 
      1  -0.115236D+02 -0.572402D+01 -0.214459D+02 -0.403219D+01  0.102845D+02
      2   0.167526D+02 -0.102978D+02  0.268396D+01 -0.276994D+01 -0.156522D+01
      3  -0.522900D+01  0.160218D+02  0.187620D+02  0.680213D+01 -0.871931D+01
      4   0.705139D+01 -0.285482D+01 -0.139764D+01 -0.291368D+01 -0.686439D+01
      5  -0.173615D+01 -0.296461D+01  0.104681D+02 -0.718956D+01  0.754927D+01
      6  -0.649238D+01  0.620434D+01 -0.119038D+02  0.511578D+00  0.863462D+01
                46            47            48            49            50 
      1  -0.915206D+01  0.887651D+01 -0.242832D+02 -0.623467D+01 -0.156974D+02
      2   0.357552D+01 -0.730095D+01  0.851383D+01 -0.543104D+01  0.210766D+02
      3   0.557654D+01 -0.157556D+01  0.157693D+02  0.116657D+02 -0.537920D+01
      4   0.837923D+01  0.100744D+00  0.579846D+01  0.459887D+01 -0.670358D+01
      5  -0.155711D+02  0.537347D+01 -0.350128D+01  0.582716D+01  0.251148D+01
      6   0.449497D+01  0.461876D+01 -0.436072D+01  0.274141D+00 -0.600513D+01
                51            52            53            54            55 
      1   0.270271D+01  0.388604D+02 -0.405185D+01  0.903132D+01 -0.463501D+02
      2  -0.106849D+02 -0.999446D+01 -0.405840D+00 -0.410555D+01  0.154696D+02
      3   0.798215D+01 -0.288659D+02  0.445769D+01 -0.492577D+01  0.308805D+02
      4   0.202876D+01 -0.336522D+01 -0.166392D+00  0.690030D+01  0.363922D+01
      5   0.601355D+01  0.409794D+01  0.687677D+01 -0.787785D+01 -0.349418D+01
      6   0.389338D+01  0.112336D+02 -0.293849D+01  0.768798D+01  0.213834D+01
                56            57            58            59            60 
      1  -0.897131D+01 -0.289988D+01 -0.437727D+02 -0.309533D+02 -0.446509D+01
      2   0.670963D+01 -0.197129D+01  0.297191D+02  0.423564D+01  0.506783D+01
      3   0.226168D+01  0.487117D+01  0.140536D+02  0.267177D+02 -0.602743D+00
      4  -0.247166D+02  0.384483D-01 -0.539348D+02  0.259965D+02 -0.128971D+02
      5  -0.345797D+00 -0.109551D+02 -0.492114D+01 -0.135131D+02  0.179109D+01
      6   0.284870D+00  0.184381D+01 -0.168199D+01  0.466189D+01 -0.483215D+00
                61            62            63            64            65 
      1  -0.319917D+02 -0.752626D+01 -0.810183D+01 -0.467407D+02  0.138705D+02
      2   0.519480D+01  0.699330D+01  0.118621D+02  0.308924D+02 -0.230724D+01
      3   0.267969D+02  0.532957D+00 -0.376030D+01  0.158483D+02 -0.115632D+02
      4  -0.485976D+01 -0.219238D+02  0.781943D+01  0.150664D+02  0.288935D+02
      5  -0.259621D+02  0.500167D+01  0.386186D+02 -0.264585D+01  0.306722D+01
      6   0.407139D+01 -0.220039D+01 -0.647561D+01  0.706951D+00 -0.224568D+01
                66            67            68            69            70 
      1  -0.402456D+01  0.577448D+02  0.501203D+02 -0.956745D-01  0.203539D+02
      2  -0.895727D+00 -0.245132D+02 -0.263456D+02  0.208626D+01 -0.764538D+01
      3   0.492028D+01 -0.332316D+02 -0.237747D+02 -0.199058D+01 -0.127085D+02
      4   0.243600D+01  0.488275D+02 -0.120717D+02  0.164833D+02  0.674432D+01
      5   0.183979D+02  0.840206D+01  0.190982D+02  0.206816D+01  0.356072D+02
      6   0.331742D+01  0.340828D+01  0.445632D+01 -0.432969D+00  0.297721D+01
                71            72            73            74            75 
      1   0.208187D+01  0.348812D+02  0.528173D+02 -0.675001D+01 -0.626573D+01
      2   0.350086D+01 -0.901189D+01 -0.365286D+02 -0.779487D+01 -0.974424D+00
      3  -0.558274D+01 -0.258693D+02 -0.162887D+02  0.145449D+02  0.724015D+01
      4   0.206106D+02  0.457965D+01 -0.333959D+01 -0.303958D+02 -0.740900D+01
      5   0.371858D+01 -0.553622D+02 -0.584339D+01 -0.564475D+01 -0.128506D+02
      6   0.434235D+01 -0.713322D+01 -0.646704D+01 -0.231936D+01 -0.921057D+01
                76            77            78            79            80 
      1  -0.111449D+02 -0.310214D+02  0.368589D+01 -0.112823D+02  0.294059D+01
      2  -0.723105D+01  0.106756D+02 -0.122014D+02 -0.230429D+01 -0.156149D+02
      3   0.183759D+02  0.203458D+02  0.851547D+01  0.135866D+02  0.126743D+02
      4  -0.360311D+02 -0.152527D+02 -0.212611D+02 -0.850754D+01 -0.306742D+02
      5  -0.644336D+01 -0.209570D+02 -0.770694D+01 -0.210396D+02 -0.141942D+02
      6  -0.560422D+01 -0.169110D+02 -0.376215D+01 -0.109264D+02 -0.859609D+01
                81            82            83            84            85 
      1  -0.912046D+01  0.581886D+02 -0.165733D+02 -0.325504D+01 -0.309078D+02
      2   0.850508D+01 -0.313686D+02  0.739155D+01  0.183429D+00  0.139344D+02
      3   0.615380D+00 -0.268200D+02  0.918176D+01  0.307161D+01  0.169734D+02
      4  -0.192117D+02 -0.198862D+02 -0.395191D+02 -0.586643D+01 -0.627848D+02
      5   0.397341D+02 -0.682588D+01 -0.642298D+01 -0.329960D+02 -0.111487D+02
      6   0.196255D+02 -0.181236D+01 -0.526532D+01 -0.232737D+01 -0.100045D+02
                86            87            88            89            90 
      1  -0.546600D+02 -0.625861D+01 -0.138691D+02 -0.611376D+01 -0.453534D+02
      2   0.268929D+02  0.196507D+01  0.338807D+01  0.171101D+01  0.246703D+02
      3   0.277671D+02  0.429354D+01  0.104810D+02  0.440275D+01  0.206831D+02
      4   0.202564D+02 -0.424720D+02 -0.105407D+02 -0.415690D+02 -0.423227D+01
      5  -0.459780D+02 -0.307873D+01 -0.538351D+02 -0.300417D+01  0.475554D+02
      6   0.150054D+00 -0.554999D+01 -0.377671D+01 -0.585932D+01  0.159485D+01
                91            92            93            94            95 
      1   0.254571D+01 -0.178324D+01 -0.666502D+01 -0.129460D+01 -0.199324D+02
      2  -0.488253D+01 -0.180272D+01  0.120514D+01  0.554471D+01  0.929733D+01
      3   0.233682D+01  0.358596D+01  0.545988D+01 -0.425011D+01  0.106351D+02
      4  -0.149763D+02 -0.170109D+02 -0.432143D+01 -0.443161D+02  0.189331D+02
      5  -0.178661D+02 -0.264921D+01 -0.110256D+02 -0.131121D+02 -0.655497D+01
      6  -0.111431D+01 -0.624155D+01 -0.696461D+01 -0.169696D+01  0.254869D+01
                96            97            98            99           100 
      1  -0.782192D+01 -0.177235D+02 -0.899779D+01 -0.452689D+01  0.500151D+01
      2   0.392444D+01  0.289892D+01 -0.380465D+00  0.592050D+01 -0.105392D+01
      3   0.389748D+01  0.148245D+02  0.937826D+01 -0.139362D+01 -0.394760D+01
      4  -0.648427D+01 -0.217948D+02 -0.709983D+01 -0.233482D+02  0.109703D+02
      5  -0.199766D+02 -0.210570D+02 -0.221218D+02  0.223435D+02  0.142279D+02
      6  -0.401414D+01 -0.103073D+02 -0.563649D+01  0.816735D+01 -0.680293D+01
               101           102           103           104           105 
      1   0.307118D+01  0.500695D+01  0.176466D+02  0.616893D+01  0.631315D+00
      2  -0.100471D+01 -0.345841D+01 -0.164390D+02  0.995923D+00  0.432012D+01
      3  -0.206647D+01 -0.154854D+01 -0.120753D+01 -0.716485D+01 -0.495144D+01
      4   0.190574D+01 -0.480957D+01  0.149851D+01 -0.141652D+02  0.104612D+02
      5  -0.629863D+01 -0.553178D+01 -0.141461D+02  0.127740D+02  0.364841D+02
      6   0.483983D+01  0.794573D+01  0.689212D+01 -0.117376D+02 -0.191621D+02
               106           107           108           109           110 
      1   0.189911D+02 -0.249707D+01 -0.113499D+01  0.227495D+02 -0.147788D+02
      2  -0.127867D+01 -0.884124D+01  0.431966D+01 -0.135271D+02  0.675103D+01
      3  -0.177124D+02  0.113383D+02 -0.318466D+01 -0.922243D+01  0.802776D+01
      4  -0.169176D+02  0.327035D+02  0.264334D+02 -0.208940D+02  0.178416D+02
      5  -0.234464D+02  0.275656D+02  0.186760D+02 -0.311207D+02  0.964918D+01
      6   0.151367D+02 -0.228703D+02 -0.124235D+02  0.117571D+02 -0.327134D+01
               111           112           113           114           115 
      1  -0.231512D+02 -0.175962D+02 -0.555100D+01 -0.570156D+01 -0.333044D+02
      2   0.150808D+02  0.577441D+01  0.149966D+02  0.337473D+01  0.186805D+02
      3   0.807044D+01  0.118218D+02 -0.944564D+01  0.232683D+01  0.146239D+02
      4   0.124334D+02  0.302339D+02 -0.337569D+02 -0.249032D+02  0.291332D+02
      5   0.228335D+02  0.202389D+02 -0.273555D+02 -0.303892D+02  0.411897D+02
      6  -0.541856D+01 -0.927825D+01  0.244245D+02  0.264927D+02 -0.164632D+02
               116           117           118           119           120 
      1  -0.248258D+01 -0.370429D+01  0.876299D+01 -0.418897D+01  0.123179D+02
      2   0.620460D+01 -0.163649D+02 -0.796556D+01  0.914787D+01 -0.852055D+01
      3  -0.372202D+01  0.200692D+02 -0.797431D+00 -0.495890D+01 -0.379734D+01
      4  -0.365065D+02 -0.275873D+02  0.131208D+01 -0.950858D+01 -0.237569D+01
      5  -0.309489D+02 -0.696025D+02  0.106239D+02  0.190346D+01  0.771897D+01
      6   0.282360D+02  0.361521D+02 -0.354049D+01 -0.234841D+01 -0.145077D+01
               121           122           123           124           125 
      1  -0.235884D+00 -0.574068D+01  0.409461D+01  0.197435D+02  0.134252D+01
      2   0.112555D+02 -0.173647D+02 -0.258414D+00 -0.115046D+02 -0.129621D+01
      3  -0.110196D+02  0.231053D+02 -0.383620D+01 -0.823887D+01 -0.463149D-01
      4  -0.209268D+02  0.515325D+02 -0.105495D+01 -0.860515D+01  0.802059D+01
      5   0.323040D+01 -0.140573D+01 -0.233857D+01  0.175676D+02 -0.112163D+02
      6  -0.500213D+01  0.421018D+01  0.712588D+01 -0.427192D+01  0.134590D+02
               126           127           128           129           130 
      1  -0.138066D+01 -0.938836D+00 -0.603897D-01  0.347336D+01 -0.282571D+01
      2  -0.772764D+01 -0.547625D+01 -0.127696D+01  0.571528D+01 -0.543241D+00
      3   0.910829D+01  0.641509D+01  0.133735D+01 -0.918864D+01  0.336896D+01
      4  -0.104840D+02  0.961817D+00  0.245335D+01 -0.774940D+00  0.124791D+01
      5   0.313946D+02 -0.985655D+01 -0.257509D+01  0.125889D+02 -0.280810D+01
      6  -0.170045D+02  0.353157D+00 -0.160008D+01 -0.584166D+00 -0.105408D+01
               131           132           133           134           135 
      1  -0.354903D+01  0.786452D+01  0.405330D+01  0.463727D+01 -0.247917D+02
      2  -0.538523D+00  0.316612D+01  0.704835D+01  0.216806D+01 -0.149798D+02
      3   0.408755D+01 -0.110306D+02 -0.111017D+02 -0.680533D+01  0.397714D+02
      4   0.121215D+01 -0.143748D+01 -0.171181D+01 -0.302973D+01  0.190250D+01
      5  -0.280824D+01  0.464228D+01  0.122579D+02  0.412234D+01 -0.199832D+02
      6  -0.294978D+01  0.249394D+01  0.909301D+00  0.534021D+01 -0.221171D+01
               136           137           138           139           140 
      1   0.301096D+01  0.290923D+00 -0.114431D+01  0.536691D+00 -0.170810D+01
      2  -0.580784D+01  0.894672D+00 -0.478982D+01  0.217976D+01 -0.514101D+00
      3   0.279688D+01 -0.118560D+01  0.593414D+01 -0.271646D+01  0.222221D+01
      4  -0.142911D+01  0.356826D+01 -0.105239D+01  0.253702D+01 -0.319608D+01
      5   0.122914D+02 -0.281085D+01  0.106814D+02 -0.440567D+01  0.316743D+01
      6  -0.596133D+00  0.172666D+01 -0.789444D+00  0.827823D+00 -0.278386D+01
               141           142           143           144           145 
      1   0.534575D+01 -0.386765D+01  0.393652D+01 -0.135197D+02 -0.285663D+01
      2   0.254195D+01 -0.598717D+01  0.132855D+01 -0.948337D+01 -0.265698D+01
      3  -0.788770D+01  0.985482D+01 -0.526507D+01  0.230030D+02  0.551361D+01
      4   0.127786D+01 -0.169373D+01  0.283028D+01 -0.241429D+01  0.573608D+01
      5  -0.647984D+01  0.133206D+02 -0.445578D+01  0.172466D+02 -0.926838D+01
      6   0.224970D+01 -0.181253D+01  0.469696D+01 -0.342773D+01 -0.602424D+01
               146           147           148           149           150 
      1  -0.185062D+01  0.557203D+01 -0.304758D+01 -0.500126D+01  0.876742D+01
      2   0.359767D+00  0.270464D+01 -0.313082D+00  0.129315D+01  0.136411D+00
      3   0.149085D+01 -0.827668D+01  0.336066D+01  0.370811D+01 -0.890383D+01
      4   0.374762D+01 -0.557618D+01  0.269281D+01  0.202253D+01 -0.311786D+01
      5  -0.372151D+01  0.120190D+02 -0.356872D+01 -0.292471D+01  0.433128D+01
      6  -0.361463D+01  0.653008D+01 -0.327227D+01 -0.566934D+01  0.902816D+01
               151           152           153           154           155 
      1   0.781445D+01  0.110634D+02 -0.297985D+02  0.231940D+01  0.249652D+01
      2   0.208914D+01 -0.284094D+01 -0.542472D+01 -0.334310D+01 -0.202571D+01
      3  -0.990359D+01 -0.822245D+01  0.352232D+02  0.102370D+01 -0.470814D+00
      4  -0.569373D+01 -0.535525D+01  0.822977D+01 -0.104142D+02  0.724648D+01
      5   0.108278D+02  0.549911D+01 -0.179022D+02  0.155602D+02 -0.598422D+01
      6   0.853930D+01  0.127444D+02 -0.236473D+02 -0.893933D+01  0.573535D+01
               156           157           158           159           160 
      1  -0.221415D+01  0.645549D+00 -0.401727D+01  0.551200D+01 -0.468391D+01
      2  -0.231814D+01  0.872649D+00  0.209349D+01 -0.185371D+00 -0.271078D+01
      3   0.453228D+01 -0.151820D+01  0.192378D+01 -0.532663D+01  0.739469D+01
      4  -0.830723D+01  0.485074D+01 -0.524758D+01  0.578242D+01 -0.872290D+01
      5   0.144334D+02 -0.750189D+01  0.504580D+01 -0.772722D+01  0.156108D+02
      6  -0.889295D+01  0.546455D+01 -0.622660D+01  0.863291D+01 -0.106741D+02
               161           162           163           164           165 
      1   0.840996D+01 -0.167151D+02  0.876534D+01  0.238019D+00 -0.759601D+01
      2  -0.344214D+01 -0.309856D+01 -0.825935D+01 -0.554865D+00  0.653741D+01
      3  -0.496782D+01  0.198137D+02 -0.505988D+00  0.316846D+00  0.105860D+01
      4   0.720827D+01 -0.108882D+02 -0.222300D+01  0.723888D+01  0.430631D+01
      5  -0.784638D+01  0.212938D+02 -0.141796D+02  0.286784D+01  0.152200D+02
      6   0.117661D+02 -0.191038D+02  0.234264D+01 -0.138837D+01 -0.233748D+01
               166           167           168           169           170 
      1   0.869560D+01  0.206607D+01 -0.180473D+01 -0.151831D+02 -0.299438D+01
      2  -0.534105D+01 -0.778851D+00  0.133304D+01  0.137747D+02  0.378883D+00
      3  -0.335454D+01 -0.128722D+01  0.471695D+00  0.140843D+01  0.261550D+01
      4   0.791686D+01 -0.401908D+01 -0.476894D+01  0.602394D+01 -0.856882D+01
      5  -0.283973D+00 -0.500019D+01  0.595783D+00  0.228044D+02 -0.868373D+01
      6  -0.176343D+01  0.155879D+01  0.532567D+01 -0.531625D+01  0.628592D+01
               171           172           173           174           175 
      1  -0.440276D+01  0.229777D+02 -0.913904D+01  0.406079D+01 -0.150409D+02
      2  -0.135641D+02 -0.467605D+01 -0.442869D+00 -0.921384D+00 -0.300751D+01
      3   0.179669D+02 -0.183016D+02  0.958191D+01 -0.313941D+01  0.180484D+02
      4  -0.114622D+02 -0.225375D+02  0.242893D+02 -0.201763D+01  0.366760D+02
      5  -0.448410D+02  0.542179D+01 -0.845755D+00  0.497229D+01 -0.187199D+01
      6   0.119531D+02 -0.146462D+01  0.116145D+00 -0.124117D+01  0.113545D+01
               176           177           178           179           180 
      1   0.767866D+00  0.311953D+00  0.211533D+02  0.120078D+01  0.180757D+01
      2   0.208368D+02 -0.279913D+01 -0.647245D+01 -0.473291D+01 -0.131069D+00
      3  -0.216047D+02  0.248717D+01 -0.146808D+02  0.353214D+01 -0.167650D+01
      4  -0.523105D+02  0.692876D+01 -0.998855D+01  0.163173D+02 -0.934760D+01
      5   0.641354D+01 -0.592428D+01  0.977464D+01 -0.818813D+01  0.271782D+01
      6  -0.215007D+01  0.455731D+01 -0.387093D+01  0.583159D+01 -0.242754D+01
               181           182           183           184           185 
      1  -0.296884D+01 -0.274631D+01  0.118680D+02 -0.922162D+01 -0.117976D+02
      2  -0.233945D+01  0.538806D+00 -0.335570D+01  0.398086D+01  0.526196D+01
      3   0.530829D+01  0.220750D+01 -0.851232D+01  0.524076D+01  0.653563D+01
      4  -0.455712D+01 -0.443934D+01  0.127542D+00 -0.367688D+01  0.103692D+01
      5   0.757614D+01 -0.358066D+00 -0.277710D+01  0.910101D+00  0.432895D+01
      6   0.137607D+01 -0.607909D-02 -0.168777D+01 -0.495355D+00  0.317012D+00
               186           187           188           189           190 
      1  -0.377762D+00  0.211299D+02 -0.734688D+00 -0.241697D+02 -0.552309D+02
      2   0.945772D+00 -0.932810D+01  0.124106D+01 -0.864157D+01  0.317146D+02
      3  -0.568010D+00 -0.118018D+02 -0.506377D+00  0.328112D+02  0.235164D+02
      4   0.392849D+01  0.161872D+01  0.653219D+01 -0.167652D+01 -0.171921D+02
      5  -0.474717D+00 -0.479721D+00 -0.148266D+00  0.517527D+02  0.245694D+01
      6   0.658341D+01 -0.290827D+00  0.339837D+01  0.725209D+01  0.237230D+01
               191           192           193           194           195 
      1   0.147800D+02  0.165399D+01  0.691048D+01 -0.100061D+02 -0.620950D+00
      2  -0.150097D+02 -0.672488D+00 -0.759102D+01  0.954421D+01  0.152034D+01
      3   0.229714D+00 -0.981502D+00  0.680541D+00  0.461884D+00 -0.899389D+00
      4  -0.454496D+01  0.232208D+01  0.194055D+01 -0.346758D+00  0.222240D+01
      5   0.133221D+01 -0.170633D+01  0.464060D-01  0.251502D+01  0.719298D+00
      6   0.392359D+00 -0.323710D+01  0.758720D+00  0.116742D+01  0.195323D+01
               196           197           198           199           200 
      1   0.327292D+01 -0.240034D+01 -0.542018D+01  0.265338D+01  0.173417D+01
      2  -0.966083D+00  0.306797D+01  0.225267D+01 -0.197546D+01  0.164864D+01
      3  -0.230684D+01 -0.667633D+00  0.316750D+01 -0.677916D+00 -0.338281D+01
      4   0.111308D+01  0.389079D+01  0.182145D+01  0.596425D+01  0.965689D+01
      5   0.124109D+01  0.284482D+01 -0.329566D+01 -0.104465D+02 -0.368121D+01
      6  -0.220970D+01  0.371488D+01 -0.117132D+01 -0.406804D+01 -0.199792D+01
               201           202           203           204           205 
      1  -0.708920D+01 -0.996770D+00 -0.294968D+00  0.260512D+01 -0.107461D+02
      2   0.540214D+01  0.255170D+01  0.181175D+01 -0.275313D+01  0.778013D+01
      3   0.168706D+01 -0.155493D+01 -0.151678D+01  0.148015D+00  0.296594D+01
      4  -0.577695D+01  0.622349D+01  0.671346D+01 -0.533240D+01 -0.890463D+01
      5   0.141977D+02 -0.735449D+00 -0.562263D+01  0.335987D+01  0.159682D+02
      6   0.544435D+01 -0.164952D+01 -0.329835D+01  0.749756D+01  0.746802D+01
               206           207           208           209           210 
      1   0.561399D+01 -0.653021D+01  0.132573D+02  0.952073D+01  0.551344D+01
      2  -0.535904D+01 -0.856927D+01  0.255706D+01  0.788834D+01 -0.470226D-01
      3  -0.254950D+00  0.150995D+02 -0.158143D+02 -0.174091D+02 -0.546642D+01
      4  -0.136375D+02  0.167208D+02  0.268754D+02  0.341432D+02  0.831185D+01
      5   0.143621D+02 -0.497727D+02  0.794364D+01  0.583293D+01  0.866150D+01
      6   0.123826D+02 -0.283482D+02  0.512606D+01  0.449867D+01  0.590791D+01
               211           212           213           214           215 
      1   0.818929D+01 -0.281443D+01 -0.115260D+01  0.950626D+01 -0.234259D+01
      2   0.922869D+01  0.320960D+02  0.815732D+01 -0.215554D+00  0.127472D+02
      3  -0.174180D+02 -0.292816D+02 -0.700471D+01 -0.929070D+01 -0.104046D+02
      4   0.342385D+02  0.573502D+02  0.156092D+02  0.160059D+02  0.274646D+02
      5   0.673218D+01  0.140738D+02  0.104037D+02  0.114276D+02  0.141755D+02
      6   0.574490D+01  0.126239D+02  0.985600D+01  0.771360D+01  0.126170D+02
               216           217           218           219           220 
      1   0.119038D+01  0.269460D+02  0.975322D+00 -0.202835D+02  0.326868D+01
      2   0.273174D+01 -0.157209D+02 -0.354234D+00  0.115399D+02 -0.132155D+01
      3  -0.392212D+01 -0.112251D+02 -0.621087D+00  0.874353D+01 -0.194713D+01
      4   0.161145D+02  0.196035D+01  0.827958D+01  0.290937D+00  0.152744D+02
      5   0.902514D+01 -0.213148D+02  0.768089D+00  0.237954D+02  0.362840D+00
      6   0.813987D+01 -0.457351D+00  0.306146D+00  0.537991D+00 -0.978161D+00
               221           222           223           224           225 
      1   0.106353D+02  0.755928D+00 -0.495057D+02  0.194774D+01  0.299456D+02
      2  -0.534908D+01 -0.711407D+00  0.290482D+02 -0.160051D+01 -0.235889D+02
      3  -0.528624D+01 -0.445211D-01  0.204575D+02 -0.347234D+00 -0.635670D+01
      4  -0.174406D+01 -0.506259D+01  0.920552D-01 -0.104541D+02  0.616919D+00
      5  -0.476193D+01  0.689912D+00  0.432359D+02 -0.439455D+00 -0.691466D+02
      6  -0.506765D+00  0.417556D+01  0.180006D+01  0.391470D+01 -0.230472D+01
               226           227           228           229           230 
      1   0.248317D+02 -0.205591D+02  0.104279D+02 -0.436763D+02  0.300311D+02
      2  -0.120852D+02  0.994496D+01 -0.558871D+01  0.214939D+02 -0.101508D+02
      3  -0.127465D+02  0.106141D+02 -0.483920D+01  0.221824D+02 -0.198803D+02
      4  -0.210798D+02  0.231726D+02 -0.688015D+01  0.409739D+02 -0.631420D+02
      5   0.122522D+02 -0.779881D+01  0.116831D+02 -0.149343D+02  0.243408D+02
      6  -0.255667D+01  0.206182D+01 -0.923828D+00  0.464741D+01 -0.747048D+01
               231           232           233           234           235 
      1  -0.906380D+01  0.206237D+02 -0.758732D+01  0.140075D+02  0.561826D+02
      2   0.552538D+01 -0.118413D+02  0.509954D+01 -0.100111D+02 -0.270066D+02
      3   0.353842D+01 -0.878233D+01  0.248778D+01 -0.399634D+01 -0.291760D+02
      4   0.226884D+02 -0.112330D+02  0.241870D+02 -0.147244D+02  0.333312D+02
      5  -0.190942D+02  0.217813D+02 -0.160792D+02  0.141599D+02  0.243248D+02
      6   0.578117D+01 -0.245796D+01  0.622344D+01 -0.429116D+01  0.538541D+01
               236           237           238           239           240 
      1   0.273878D+02  0.189447D+02  0.574882D+02  0.300578D+02  0.134388D+02
      2  -0.122427D+02 -0.100135D+02 -0.254845D+02 -0.871790D+01 -0.656802D+01
      3  -0.151451D+02 -0.893121D+01 -0.320037D+02 -0.213399D+02 -0.687082D+01
      4   0.274060D+02  0.119160D+02  0.468911D+02  0.433240D+02  0.221207D+02
      5   0.124125D+02  0.196212D+02  0.224004D+02  0.228259D+02  0.204224D+02
      6   0.340630D+01  0.297879D+01  0.734079D+01  0.762393D+01  0.664683D+01
               241           242           243           244           245 
      1   0.358584D+02  0.115177D+02  0.208600D+02  0.200445D+01  0.388237D+01
      2  -0.193896D+02 -0.564086D+01 -0.135407D+02 -0.355680D+01 -0.210516D+01
      3  -0.164688D+02 -0.587683D+01 -0.731933D+01  0.155235D+01 -0.177721D+01
      4   0.191326D+02  0.239001D+02  0.164403D+02  0.654929D+01  0.714847D+01
      5   0.330200D+02  0.169640D+02  0.208560D+02 -0.110533D+02 -0.289173D+01
      6   0.607786D+01  0.683946D+01  0.608451D+01 -0.458125D+01 -0.612704D+00
               246           247           248           249           250 
      1  -0.620618D+01  0.424606D+01  0.334122D-01  0.205457D+01 -0.813409D+01
      2   0.451776D+01 -0.180132D+01  0.119083D+01 -0.160930D+01  0.755342D+01
      3   0.168842D+01 -0.244474D+01 -0.122424D+01 -0.445265D+00  0.580668D+00
      4  -0.378412D+01  0.107284D+02  0.718880D+01 -0.767325D+01 -0.642137D+01
      5   0.120469D+02 -0.398758D+01 -0.781278D+01  0.113086D+02  0.163535D+02
      6   0.268624D+01 -0.224838D+01 -0.626217D+01  0.815782D+01  0.437583D+01
               251           252           253           254           255 
      1   0.228962D+01 -0.441287D+01 -0.880238D+02 -0.955709D+01  0.615805D+01
      2   0.734324D+00 -0.906304D+01  0.438034D+02  0.133292D+02 -0.464936D+01
      3  -0.302395D+01  0.134759D+02  0.442204D+02 -0.377207D+01 -0.150869D+01
      4  -0.111266D+02  0.112991D+02 -0.142797D+02  0.250375D+02  0.104197D+02
      5   0.100603D+02 -0.359233D+02  0.980162D+01  0.759685D+01  0.138815D+02
      6   0.771994D+01 -0.132478D+02  0.810777D+01  0.639654D+01  0.512642D+01
               256           257           258           259           260 
      1   0.134215D+02  0.361766D+02  0.334764D+01  0.292629D+02  0.405747D+01
      2  -0.285773D+01 -0.396058D+02 -0.774926D+01 -0.125615D+02 -0.369210D+01
      3  -0.105637D+02  0.342926D+01  0.440162D+01 -0.167014D+02 -0.365371D+00
      4   0.286982D+02 -0.276478D+02  0.477268D+01  0.229275D+02  0.153701D+02
      5   0.132290D+02  0.753327D+01  0.186134D+02  0.211383D+02  0.202137D+02
      6   0.711411D+01 -0.422805D+01  0.616655D+01  0.932188D+01  0.847681D+01
               261           262           263           264           265 
      1   0.152685D+02  0.859440D+01 -0.100296D+02  0.315909D+01 -0.850368D+01
      2   0.614562D+01  0.164153D+01 -0.102557D+01 -0.198271D+00 -0.908535D+01
      3  -0.214142D+02 -0.102359D+02  0.110551D+02 -0.296082D+01  0.175890D+02
      4   0.234559D+02 -0.172330D+02  0.207756D+02 -0.499263D+01  0.338099D+02
      5  -0.187104D+02  0.625692D+01 -0.520464D+01  0.433734D+01 -0.950175D+01
      6  -0.288994D+01 -0.379288D+01  0.360094D+01 -0.178568D+01  0.694863D+01
               266           267           268           269           270 
      1  -0.241632D+01 -0.161189D+00  0.172962D+00  0.131514D+01 -0.478085D+00
      2   0.336786D+02 -0.576595D+01 -0.221470D+01  0.361363D+01  0.140945D+01
      3  -0.312622D+02  0.592714D+01  0.204174D+01 -0.492878D+01 -0.931367D+00
      4  -0.678468D+02  0.147703D+02  0.227351D+01 -0.414785D+01 -0.477605D+01
      5   0.159123D+02 -0.122150D+02  0.364318D+01 -0.486879D+01  0.561792D+01
      6  -0.149959D+02  0.835052D+01 -0.207286D+01  0.492702D+01 -0.343730D+01
               271           272           273           274           275 
      1   0.620094D+01 -0.192109D-01  0.599463D+01 -0.723128D+01 -0.606938D+01
      2  -0.597694D+01 -0.120079D+01 -0.228283D+01  0.363988D+01  0.282162D+01
      3  -0.224000D+00  0.122000D+01 -0.371181D+01  0.359140D+01  0.324776D+01
      4  -0.111034D+01 -0.348784D+01 -0.262498D+00 -0.312564D+01 -0.320582D+01
      5   0.351285D+01 -0.171078D+01  0.509365D-01 -0.467671D+01  0.375434D+01
      6  -0.303469D+00 -0.164729D+01 -0.129756D+01 -0.858852D+00 -0.319914D+00
               276           277           278           279           280 
      1  -0.482264D+00  0.100925D+02 -0.378328D-01 -0.119529D+02  0.133345D+03
      2   0.526378D+01 -0.689666D+01  0.448949D+01 -0.158085D+02 -0.628937D+02
      3  -0.478152D+01 -0.319586D+01 -0.445166D+01  0.277614D+02 -0.704510D+02
      4   0.412911D+01  0.453868D+01  0.891762D+01 -0.356886D+01  0.451164D+02
      5  -0.101451D+02  0.100940D+02 -0.255251D+01  0.437465D+02  0.117347D+02
      6   0.103296D+01  0.167145D+01  0.365084D+01  0.126497D+02  0.294899D+00
               281           282           283           284           285 
      1   0.121252D+02 -0.299070D+00 -0.480300D+01  0.757897D+01 -0.329872D+00
      2  -0.225757D+01 -0.737684D+00  0.543403D+01 -0.231767D+00  0.723438D+00
      3  -0.986764D+01  0.103675D+01 -0.631033D+00 -0.734720D+01 -0.393566D+00
      4   0.185685D+02  0.142861D+01  0.139566D+02  0.711885D+01 -0.100131D+01
      5   0.201128D+01  0.128836D+02 -0.133720D+01 -0.608896D+00 -0.220592D+01
      6   0.185667D+01  0.363452D+01  0.488651D+00  0.582733D+00  0.191672D+00
               286           287           288           289           290 
      1  -0.163958D+02 -0.196066D+01  0.915804D+01  0.120737D+01  0.146317D+02
      2   0.635932D+01  0.263585D-02 -0.673737D+01  0.257734D+01 -0.147452D+02
      3   0.100365D+02  0.195802D+01 -0.242067D+01 -0.378471D+01  0.113501D+00
      4  -0.762110D+01 -0.489094D+01  0.139821D+01  0.449971D+01 -0.720855D+01
      5   0.125110D+02 -0.458396D+00 -0.159992D+00 -0.176846D+01 -0.770350D+00
      6   0.325986D+01  0.571922D+00 -0.519588D+00 -0.778979D-02 -0.318083D+01
               291           292           293           294           295 
      1   0.545840D+00  0.112364D+02 -0.333558D+02 -0.330642D+01 -0.410009D+01
      2  -0.544060D+00 -0.399720D+01  0.550340D+02  0.356284D+01  0.935536D+00
      3  -0.178020D-02 -0.723919D+01 -0.216782D+02 -0.256420D+00  0.316455D+01
      4  -0.242259D+01  0.108227D+02  0.604630D+02  0.681822D+01 -0.337396D+01
      5  -0.281747D+01  0.287776D+01  0.419593D+01  0.690923D+01 -0.348065D+00
      6  -0.244788D+01  0.527087D+00  0.122585D+02  0.760649D+01 -0.399177D+00
               296           297 
      1  -0.137961D+01 -0.607548D+01
      2  -0.131559D+01  0.439374D+01
      3   0.269521D+01  0.168174D+01
      4  -0.438961D+01  0.379253D+01
      5   0.468780D+01  0.230071D+01
      6   0.695429D+01  0.162474D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 13:47:04 2021, MaxMem=  6442450944 cpu:           34188.6 elap:            4277.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19750 -19.14008 -10.32741 -10.21453 -10.20273
 Alpha  occ. eigenvalues --  -10.19657 -10.19205 -10.19192 -10.19094 -10.19015
 Alpha  occ. eigenvalues --  -10.18965 -10.18961 -10.18643 -10.17633 -10.17242
 Alpha  occ. eigenvalues --   -1.10911  -1.01783  -0.86728  -0.82209  -0.79746
 Alpha  occ. eigenvalues --   -0.74658  -0.74398  -0.68305  -0.68064  -0.66606
 Alpha  occ. eigenvalues --   -0.62408  -0.60609  -0.58183  -0.56025  -0.51985
 Alpha  occ. eigenvalues --   -0.49859  -0.48608  -0.48218  -0.46696  -0.45733
 Alpha  occ. eigenvalues --   -0.44937  -0.44432  -0.43713  -0.42634  -0.42318
 Alpha  occ. eigenvalues --   -0.41234  -0.39641  -0.38985  -0.38825  -0.37471
 Alpha  occ. eigenvalues --   -0.37168  -0.36755  -0.35391  -0.34415  -0.33766
 Alpha  occ. eigenvalues --   -0.33702  -0.33017  -0.32695  -0.29132  -0.26239
 Alpha  occ. eigenvalues --   -0.24683
 Alpha virt. eigenvalues --   -0.02823  -0.01991   0.00339   0.00647   0.01887
 Alpha virt. eigenvalues --    0.03113   0.03574   0.04313   0.04797   0.05245
 Alpha virt. eigenvalues --    0.06265   0.06931   0.07447   0.08309   0.08525
 Alpha virt. eigenvalues --    0.08983   0.09529   0.10333   0.10943   0.11324
 Alpha virt. eigenvalues --    0.11581   0.12368   0.12766   0.12891   0.13278
 Alpha virt. eigenvalues --    0.13759   0.14127   0.14481   0.14557   0.15054
 Alpha virt. eigenvalues --    0.15298   0.15838   0.16659   0.17214   0.17555
 Alpha virt. eigenvalues --    0.17965   0.18177   0.19016   0.19912   0.20356
 Alpha virt. eigenvalues --    0.21169   0.21354   0.22137   0.22347   0.22610
 Alpha virt. eigenvalues --    0.23341   0.23721   0.24090   0.24511   0.24849
 Alpha virt. eigenvalues --    0.25149   0.25804   0.26965   0.27448   0.27840
 Alpha virt. eigenvalues --    0.28067   0.28739   0.28868   0.29806   0.30067
 Alpha virt. eigenvalues --    0.30296   0.30426   0.31179   0.31511   0.31654
 Alpha virt. eigenvalues --    0.32022   0.32388   0.32763   0.33122   0.33529
 Alpha virt. eigenvalues --    0.33725   0.33996   0.34251   0.34792   0.35040
 Alpha virt. eigenvalues --    0.35489   0.36074   0.36426   0.36699   0.36792
 Alpha virt. eigenvalues --    0.36845   0.37415   0.37778   0.38062   0.38457
 Alpha virt. eigenvalues --    0.38460   0.39056   0.39308   0.39571   0.39818
 Alpha virt. eigenvalues --    0.40186   0.40379   0.40473   0.40955   0.41766
 Alpha virt. eigenvalues --    0.42048   0.42871   0.43097   0.43228   0.43724
 Alpha virt. eigenvalues --    0.44276   0.44387   0.44793   0.44976   0.45066
 Alpha virt. eigenvalues --    0.45852   0.46127   0.46393   0.46810   0.47255
 Alpha virt. eigenvalues --    0.47545   0.47897   0.48566   0.48997   0.49318
 Alpha virt. eigenvalues --    0.49515   0.50244   0.50741   0.50881   0.51506
 Alpha virt. eigenvalues --    0.51818   0.51992   0.52563   0.53027   0.53757
 Alpha virt. eigenvalues --    0.53876   0.54344   0.54632   0.54905   0.55086
 Alpha virt. eigenvalues --    0.55795   0.56419   0.57393   0.57663   0.57929
 Alpha virt. eigenvalues --    0.58273   0.58963   0.58988   0.59177   0.59787
 Alpha virt. eigenvalues --    0.60398   0.61022   0.61610   0.61814   0.62093
 Alpha virt. eigenvalues --    0.62755   0.63660   0.64259   0.64471   0.65102
 Alpha virt. eigenvalues --    0.65544   0.66065   0.66654   0.67200   0.68343
 Alpha virt. eigenvalues --    0.68587   0.69068   0.69473   0.69927   0.70521
 Alpha virt. eigenvalues --    0.70608   0.71193   0.71394   0.71929   0.72575
 Alpha virt. eigenvalues --    0.73037   0.74213   0.74471   0.75811   0.76204
 Alpha virt. eigenvalues --    0.77811   0.78121   0.78175   0.79296   0.79459
 Alpha virt. eigenvalues --    0.79887   0.81099   0.82021   0.83223   0.83773
 Alpha virt. eigenvalues --    0.84463   0.85306   0.86322   0.87503   0.88261
 Alpha virt. eigenvalues --    0.88989   0.89882   0.90589   0.91528   0.92734
 Alpha virt. eigenvalues --    0.92855   0.93859   0.94962   0.96020   0.96332
 Alpha virt. eigenvalues --    0.96621   0.98692   0.99367   0.99648   1.00704
 Alpha virt. eigenvalues --    1.01179   1.01822   1.02394   1.02958   1.03655
 Alpha virt. eigenvalues --    1.04276   1.04647   1.06128   1.06646   1.07022
 Alpha virt. eigenvalues --    1.07582   1.08631   1.09136   1.10574   1.11798
 Alpha virt. eigenvalues --    1.13440   1.14579   1.15603   1.16275   1.17193
 Alpha virt. eigenvalues --    1.18161   1.19088   1.19745   1.20196   1.21294
 Alpha virt. eigenvalues --    1.23614   1.24829   1.25297   1.26697   1.26978
 Alpha virt. eigenvalues --    1.27536   1.28747   1.29888   1.30577   1.31934
 Alpha virt. eigenvalues --    1.32144   1.33357   1.34513   1.35742   1.35988
 Alpha virt. eigenvalues --    1.37576   1.38711   1.40799   1.41409   1.42418
 Alpha virt. eigenvalues --    1.43686   1.44226   1.45508   1.46491   1.47245
 Alpha virt. eigenvalues --    1.50106   1.50563   1.52132   1.53969   1.54414
 Alpha virt. eigenvalues --    1.56793   1.59290   1.59693   1.60775   1.62211
 Alpha virt. eigenvalues --    1.63926   1.64854   1.65655   1.66759   1.67770
 Alpha virt. eigenvalues --    1.69033   1.70407   1.72166   1.73294   1.74675
 Alpha virt. eigenvalues --    1.75104   1.75589   1.76384   1.77685   1.78511
 Alpha virt. eigenvalues --    1.79618   1.80615   1.81881   1.83016   1.83689
 Alpha virt. eigenvalues --    1.84832   1.85721   1.87552   1.88083   1.88890
 Alpha virt. eigenvalues --    1.89353   1.89938   1.91003   1.91495   1.92445
 Alpha virt. eigenvalues --    1.93854   1.95311   1.96681   1.97038   1.97711
 Alpha virt. eigenvalues --    1.98864   2.00396   2.00865   2.01304   2.02162
 Alpha virt. eigenvalues --    2.03281   2.04639   2.04936   2.05933   2.07766
 Alpha virt. eigenvalues --    2.08269   2.08852   2.09518   2.10914   2.12835
 Alpha virt. eigenvalues --    2.13245   2.13871   2.15581   2.16276   2.17499
 Alpha virt. eigenvalues --    2.18225   2.18832   2.19910   2.20657   2.21965
 Alpha virt. eigenvalues --    2.22897   2.24550   2.25003   2.26266   2.27410
 Alpha virt. eigenvalues --    2.28550   2.30402   2.31574   2.32397   2.35046
 Alpha virt. eigenvalues --    2.36178   2.37759   2.40150   2.41725   2.42540
 Alpha virt. eigenvalues --    2.42982   2.43701   2.44741   2.47530   2.48413
 Alpha virt. eigenvalues --    2.49411   2.51384   2.54079   2.56504   2.57400
 Alpha virt. eigenvalues --    2.58369   2.59959   2.60561   2.61671   2.63792
 Alpha virt. eigenvalues --    2.64496   2.66252   2.67066   2.68927   2.69167
 Alpha virt. eigenvalues --    2.70869   2.71548   2.72685   2.73688   2.80919
 Alpha virt. eigenvalues --    2.84318   2.85992   2.86221   2.88900   2.93142
 Alpha virt. eigenvalues --    2.93807   2.93986   2.94792   2.99424   3.01359
 Alpha virt. eigenvalues --    3.01476   3.03546   3.04722   3.05578   3.07181
 Alpha virt. eigenvalues --    3.08012   3.10247   3.12404   3.12999   3.14855
 Alpha virt. eigenvalues --    3.16247   3.17916   3.18692   3.21224   3.22600
 Alpha virt. eigenvalues --    3.23942   3.26340   3.27003   3.37010   3.38798
 Alpha virt. eigenvalues --    3.61508   3.66854   3.82917   3.95402
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.703752  -1.413664  -1.644933   0.698596   0.210726  -0.002413
     2  C   -1.413664  14.301443   0.743087  -0.951937   0.906816  -2.389182
     3  C   -1.644933   0.743087  10.037710  -2.088683  -0.057091   0.190749
     4  C    0.698596  -0.951937  -2.088683  13.939225  -1.870663   1.257162
     5  C    0.210726   0.906816  -0.057091  -1.870663  10.616321  -2.076709
     6  C   -0.002413  -2.389182   0.190749   1.257162  -2.076709  10.530053
     7  C   -1.255841   0.289068  -0.018327   0.170775   0.061425  -1.266769
     8  C    0.006297   0.036372  -0.003012   0.000364   0.009995  -0.004645
     9  C    0.041256  -0.073194  -0.007719  -0.004636   0.003902  -0.010145
    10  C   -0.015154  -0.023960   0.000290  -0.000045  -0.001319  -0.002324
    11  C    0.016782   0.144645  -1.099295   0.409523  -1.243295   0.071688
    12  C   -0.025871   0.007790  -0.023718   0.009785  -0.061517  -0.012564
    13  O    0.000666  -0.002405  -0.036869   0.041339  -0.036876   0.005845
    14  O    0.039491   0.003713  -0.126343   0.042835  -0.023359   0.006605
    15  H    0.519342  -1.872351  -0.966381  -0.014401   0.178017   0.133544
    16  H   -0.782781  -0.110675   0.779648  -1.884401   0.063496   0.173722
    17  H    0.218568  -0.022502   0.112403  -2.019521   0.814873  -0.971305
    18  H    0.041417  -1.823762   0.213706   0.003532  -1.099010   0.802936
    19  H   -0.101809  -0.195676   0.038807   0.008600   0.011147   0.095778
    20  H    0.140953  -0.061239  -0.002567  -0.011612  -0.015810   0.060149
    21  H   -0.050367  -0.026774   0.000999   0.000973   0.010969  -0.133426
    22  H    0.022123   0.010486  -0.005783  -0.003615   0.002479   0.034130
    23  H    0.006966  -0.033715   0.000809   0.000252  -0.000392  -0.000079
    24  H   -0.016791   0.014945   0.002508   0.000550   0.000200  -0.012500
    25  H    0.002882   0.003101  -0.000267  -0.000010   0.000112  -0.002723
    26  H   -0.003160  -0.000209   0.000095  -0.000009  -0.000260   0.001246
    27  H    0.001578   0.005887  -0.000024  -0.000013  -0.000054   0.001644
    28  H    0.018520  -0.002691   0.123948  -0.274083  -0.113185   0.023238
    29  C   -0.012769   0.004513  -0.034573  -0.066580  -0.010042   0.003387
    30  H   -0.003178  -0.000075   0.012847  -0.022024   0.003115  -0.000288
    31  H    0.008873   0.001657  -0.025779   0.001025  -0.011898   0.000482
    32  H   -0.001240  -0.000164  -0.004571   0.000240  -0.021091   0.000145
    33  H    0.002049   0.002797  -0.017703  -0.051594   0.038757  -0.002611
               7          8          9         10         11         12
     1  C   -1.255841   0.006297   0.041256  -0.015154   0.016782  -0.025871
     2  C    0.289068   0.036372  -0.073194  -0.023960   0.144645   0.007790
     3  C   -0.018327  -0.003012  -0.007719   0.000290  -1.099295  -0.023718
     4  C    0.170775   0.000364  -0.004636  -0.000045   0.409523   0.009785
     5  C    0.061425   0.009995   0.003902  -0.001319  -1.243295  -0.061517
     6  C   -1.266769  -0.004645  -0.010145  -0.002324   0.071688  -0.012564
     7  C    7.666861   0.112875  -0.049824  -0.008752  -0.001876  -0.000229
     8  C    0.112875   6.023983   0.404658   0.314881  -0.001398  -0.000009
     9  C   -0.049824   0.404658   4.084957  -0.045992   0.000189  -0.000043
    10  C   -0.008752   0.314881  -0.045992   4.265421   0.000014   0.000001
    11  C   -0.001876  -0.001398   0.000189   0.000014   7.862402   0.271435
    12  C   -0.000229  -0.000009  -0.000043   0.000001   0.271435   5.068045
    13  O    0.000043   0.000006  -0.000027  -0.000000  -0.023301   0.079035
    14  O   -0.000161   0.000007  -0.000011  -0.000000  -0.105469   0.008699
    15  H   -0.460583   0.003562   0.036915  -0.005197  -0.001578  -0.002800
    16  H    0.012868  -0.000452  -0.001675   0.000043  -0.400848  -0.003085
    17  H    0.012922   0.003637  -0.000620  -0.000109  -0.559667  -0.042096
    18  H   -0.580378   0.005714   0.000605   0.005200   0.029383   0.000364
    19  H    0.063359   0.048399  -0.027673   0.017695   0.000135  -0.000024
    20  H   -0.112957   0.033994   0.021895  -0.101017  -0.000098  -0.000022
    21  H    0.152999   0.002789   0.008862  -0.061153  -0.000058  -0.000020
    22  H   -0.153413   0.147208   0.197782   0.009843  -0.000297   0.000227
    23  H   -0.041489   0.136068   0.138323  -0.009413   0.000059  -0.000010
    24  H    0.070434   0.124308   0.095388  -0.011129   0.000021   0.000000
    25  H    0.003494   0.203960  -0.011942   0.031381  -0.000001   0.000000
    26  H   -0.009999  -0.032266   0.009226   0.384580   0.000002  -0.000000
    27  H    0.012934   0.169458  -0.020332   0.102554  -0.000001   0.000000
    28  H    0.000110  -0.000109   0.000006   0.000000   0.017641  -0.088509
    29  C   -0.000177   0.000035  -0.000011  -0.000000   0.347299   0.065409
    30  H   -0.000002   0.000003   0.000001  -0.000000   0.030991   0.101348
    31  H   -0.000025  -0.000006  -0.000000   0.000000   0.128982  -0.016747
    32  H    0.000001  -0.000000   0.000000   0.000000   0.207706  -0.009081
    33  H   -0.000029   0.000006  -0.000000  -0.000000   0.159027   0.022551
              13         14         15         16         17         18
     1  C    0.000666   0.039491   0.519342  -0.782781   0.218568   0.041417
     2  C   -0.002405   0.003713  -1.872351  -0.110675  -0.022502  -1.823762
     3  C   -0.036869  -0.126343  -0.966381   0.779648   0.112403   0.213706
     4  C    0.041339   0.042835  -0.014401  -1.884401  -2.019521   0.003532
     5  C   -0.036876  -0.023359   0.178017   0.063496   0.814873  -1.099010
     6  C    0.005845   0.006605   0.133544   0.173722  -0.971305   0.802936
     7  C    0.000043  -0.000161  -0.460583   0.012868   0.012922  -0.580378
     8  C    0.000006   0.000007   0.003562  -0.000452   0.003637   0.005714
     9  C   -0.000027  -0.000011   0.036915  -0.001675  -0.000620   0.000605
    10  C   -0.000000  -0.000000  -0.005197   0.000043  -0.000109   0.005200
    11  C   -0.023301  -0.105469  -0.001578  -0.400848  -0.559667   0.029383
    12  C    0.079035   0.008699  -0.002800  -0.003085  -0.042096   0.000364
    13  O    8.499262   0.016404   0.000661  -0.008438  -0.014581   0.000413
    14  O    0.016404   8.319103   0.008204  -0.033266  -0.004443   0.000348
    15  H    0.000661   0.008204   3.943785  -1.000203  -0.028429   0.078805
    16  H   -0.008438  -0.033266  -1.000203   3.712307   0.069073  -0.024551
    17  H   -0.014581  -0.004443  -0.028429   0.069073   3.954805  -1.102011
    18  H    0.000413   0.000348   0.078805  -0.024551  -1.102011   4.075964
    19  H    0.000004  -0.000011  -0.052781   0.003164  -0.000471   0.029627
    20  H    0.000005   0.000002   0.026647  -0.000674  -0.003510   0.028430
    21  H    0.000005  -0.000007  -0.014833   0.000673   0.002040  -0.102041
    22  H   -0.000034   0.000116   0.015277  -0.000092  -0.000102   0.007303
    23  H   -0.000001   0.000010  -0.007418   0.000231  -0.000011   0.000360
    24  H   -0.000002  -0.000011  -0.007091   0.000162   0.000055  -0.001736
    25  H   -0.000000   0.000000   0.000589   0.000000   0.000003  -0.000840
    26  H   -0.000000  -0.000000  -0.000309  -0.000000  -0.000005   0.001930
    27  H   -0.000000   0.000000   0.000277  -0.000002  -0.000005   0.000937
    28  H   -0.045335   0.014099  -0.000243   0.019330  -0.019746  -0.000788
    29  C    0.003946  -0.000355   0.001277   0.014659  -0.036526   0.001325
    30  H   -0.068598   0.131756  -0.000344   0.005907   0.000354  -0.000004
    31  H   -0.001550   0.033213   0.002391  -0.014955  -0.003042   0.000162
    32  H    0.002660  -0.022566  -0.000054  -0.000296  -0.005590   0.000036
    33  H   -0.005273   0.007726   0.000928  -0.018629   0.013642  -0.000477
              19         20         21         22         23         24
     1  C   -0.101809   0.140953  -0.050367   0.022123   0.006966  -0.016791
     2  C   -0.195676  -0.061239  -0.026774   0.010486  -0.033715   0.014945
     3  C    0.038807  -0.002567   0.000999  -0.005783   0.000809   0.002508
     4  C    0.008600  -0.011612   0.000973  -0.003615   0.000252   0.000550
     5  C    0.011147  -0.015810   0.010969   0.002479  -0.000392   0.000200
     6  C    0.095778   0.060149  -0.133426   0.034130  -0.000079  -0.012500
     7  C    0.063359  -0.112957   0.152999  -0.153413  -0.041489   0.070434
     8  C    0.048399   0.033994   0.002789   0.147208   0.136068   0.124308
     9  C   -0.027673   0.021895   0.008862   0.197782   0.138323   0.095388
    10  C    0.017695  -0.101017  -0.061153   0.009843  -0.009413  -0.011129
    11  C    0.000135  -0.000098  -0.000058  -0.000297   0.000059   0.000021
    12  C   -0.000024  -0.000022  -0.000020   0.000227  -0.000010   0.000000
    13  O    0.000004   0.000005   0.000005  -0.000034  -0.000001  -0.000002
    14  O   -0.000011   0.000002  -0.000007   0.000116   0.000010  -0.000011
    15  H   -0.052781   0.026647  -0.014833   0.015277  -0.007418  -0.007091
    16  H    0.003164  -0.000674   0.000673  -0.000092   0.000231   0.000162
    17  H   -0.000471  -0.003510   0.002040  -0.000102  -0.000011   0.000055
    18  H    0.029627   0.028430  -0.102041   0.007303   0.000360  -0.001736
    19  H    1.288457  -0.345979  -0.037197  -0.009064   0.050102  -0.000920
    20  H   -0.345979   1.262756   0.103353   0.001634  -0.011150  -0.003657
    21  H   -0.037197   0.103353   1.479930  -0.047373  -0.020258   0.066339
    22  H   -0.009064   0.001634  -0.047373   1.023066  -0.009849  -0.154288
    23  H    0.050102  -0.011150  -0.020258  -0.009849   0.810318  -0.078585
    24  H   -0.000920  -0.003657   0.066339  -0.154288  -0.078585   1.111942
    25  H   -0.045260   0.010325  -0.000557   0.000825   0.014621  -0.026982
    26  H    0.002497  -0.037036  -0.018451  -0.004589  -0.001631   0.012400
    27  H    0.000949   0.015170   0.032254   0.005935  -0.015869   0.011349
    28  H    0.000010  -0.000002  -0.000002  -0.000015   0.000000  -0.000000
    29  C   -0.000031   0.000023  -0.000002   0.000014  -0.000003  -0.000001
    30  H   -0.000000   0.000000   0.000000   0.000002  -0.000000   0.000000
    31  H   -0.000004   0.000001  -0.000000  -0.000000  -0.000000  -0.000000
    32  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000   0.000000
    33  H   -0.000004  -0.000001  -0.000000   0.000001  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.002882  -0.003160   0.001578   0.018520  -0.012769  -0.003178
     2  C    0.003101  -0.000209   0.005887  -0.002691   0.004513  -0.000075
     3  C   -0.000267   0.000095  -0.000024   0.123948  -0.034573   0.012847
     4  C   -0.000010  -0.000009  -0.000013  -0.274083  -0.066580  -0.022024
     5  C    0.000112  -0.000260  -0.000054  -0.113185  -0.010042   0.003115
     6  C   -0.002723   0.001246   0.001644   0.023238   0.003387  -0.000288
     7  C    0.003494  -0.009999   0.012934   0.000110  -0.000177  -0.000002
     8  C    0.203960  -0.032266   0.169458  -0.000109   0.000035   0.000003
     9  C   -0.011942   0.009226  -0.020332   0.000006  -0.000011   0.000001
    10  C    0.031381   0.384580   0.102554   0.000000  -0.000000  -0.000000
    11  C   -0.000001   0.000002  -0.000001   0.017641   0.347299   0.030991
    12  C    0.000000  -0.000000   0.000000  -0.088509   0.065409   0.101348
    13  O   -0.000000  -0.000000  -0.000000  -0.045335   0.003946  -0.068598
    14  O    0.000000  -0.000000   0.000000   0.014099  -0.000355   0.131756
    15  H    0.000589  -0.000309   0.000277  -0.000243   0.001277  -0.000344
    16  H    0.000000  -0.000000  -0.000002   0.019330   0.014659   0.005907
    17  H    0.000003  -0.000005  -0.000005  -0.019746  -0.036526   0.000354
    18  H   -0.000840   0.001930   0.000937  -0.000788   0.001325  -0.000004
    19  H   -0.045260   0.002497   0.000949   0.000010  -0.000031  -0.000000
    20  H    0.010325  -0.037036   0.015170  -0.000002   0.000023   0.000000
    21  H   -0.000557  -0.018451   0.032254  -0.000002  -0.000002   0.000000
    22  H    0.000825  -0.004589   0.005935  -0.000015   0.000014   0.000002
    23  H    0.014621  -0.001631  -0.015869   0.000000  -0.000003  -0.000000
    24  H   -0.026982   0.012400   0.011349  -0.000000  -0.000001   0.000000
    25  H    0.914009  -0.128168  -0.014018  -0.000000   0.000000  -0.000000
    26  H   -0.128168   0.935550  -0.056203   0.000000  -0.000000   0.000000
    27  H   -0.014018  -0.056203   0.914412   0.000000   0.000000  -0.000000
    28  H   -0.000000   0.000000   0.000000   1.594699  -0.222320  -0.003474
    29  C    0.000000  -0.000000   0.000000  -0.222320   4.123751   0.007415
    30  H   -0.000000   0.000000  -0.000000  -0.003474   0.007415   0.745978
    31  H    0.000000   0.000000   0.000000  -0.004086   0.242672  -0.000018
    32  H    0.000000  -0.000000   0.000000  -0.003366   0.156710   0.002487
    33  H   -0.000000  -0.000000   0.000000   0.028919   0.122181  -0.000268
              31         32         33
     1  C    0.008873  -0.001240   0.002049
     2  C    0.001657  -0.000164   0.002797
     3  C   -0.025779  -0.004571  -0.017703
     4  C    0.001025   0.000240  -0.051594
     5  C   -0.011898  -0.021091   0.038757
     6  C    0.000482   0.000145  -0.002611
     7  C   -0.000025   0.000001  -0.000029
     8  C   -0.000006  -0.000000   0.000006
     9  C   -0.000000   0.000000  -0.000000
    10  C    0.000000   0.000000  -0.000000
    11  C    0.128982   0.207706   0.159027
    12  C   -0.016747  -0.009081   0.022551
    13  O   -0.001550   0.002660  -0.005273
    14  O    0.033213  -0.022566   0.007726
    15  H    0.002391  -0.000054   0.000928
    16  H   -0.014955  -0.000296  -0.018629
    17  H   -0.003042  -0.005590   0.013642
    18  H    0.000162   0.000036  -0.000477
    19  H   -0.000004   0.000000  -0.000004
    20  H    0.000001   0.000000  -0.000001
    21  H   -0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000001
    23  H   -0.000000  -0.000000  -0.000000
    24  H   -0.000000   0.000000  -0.000000
    25  H    0.000000   0.000000  -0.000000
    26  H    0.000000  -0.000000  -0.000000
    27  H    0.000000   0.000000   0.000000
    28  H   -0.004086  -0.003366   0.028919
    29  C    0.242672   0.156710   0.122181
    30  H   -0.000018   0.002487  -0.000268
    31  H    0.785135  -0.015468  -0.010032
    32  H   -0.015468   0.847197  -0.072525
    33  H   -0.010032  -0.072525   0.833616
 Mulliken charges:
               1
     1  C   -0.370864
     2  C   -1.472143
     3  C   -0.093968
     4  C   -1.320949
     5  C   -0.289780
     6  C   -0.504819
     7  C    1.330660
     8  C   -1.746684
     9  C    1.209880
    10  C    1.153664
    11  C   -0.260741
    12  C    0.651656
    13  O   -0.407006
    14  O   -0.316329
    15  H    0.484776
    16  H    0.429738
    17  H    0.631917
    18  H    0.407099
    19  H    0.158173
    20  H    0.001994
    21  H   -0.349665
    22  H   -0.089939
    23  H    0.071754
    24  H   -0.196909
    25  H    0.045463
    26  H   -0.055230
    27  H   -0.168817
    28  H   -0.062566
    29  C    1.288774
    30  H    0.056066
    31  H   -0.100984
    32  H   -0.061170
    33  H   -0.053052
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.113911
     2  C   -1.472143
     3  C    0.335769
     4  C   -1.320949
     5  C    0.342137
     6  C   -0.097720
     7  C    1.490827
     8  C   -2.096349
     9  C    0.994785
    10  C    0.975080
    11  C   -0.323306
    12  C    0.651656
    13  O   -0.407006
    14  O   -0.260263
    29  C    1.073569
 Electronic spatial extent (au):  <R**2>=           4614.0122
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8540    Y=             -0.7743    Z=             -1.4604  Tot=              1.8606
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.2462   YY=            -91.8606   ZZ=            -93.8403
   XY=              1.9760   XZ=              6.6162   YZ=             -6.4225
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7362   YY=              0.1217   ZZ=             -1.8579
   XY=              1.9760   XZ=              6.6162   YZ=             -6.4225
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.5485  YYY=             26.1223  ZZZ=             -5.0219  XYY=            -19.9311
  XXY=             -3.4742  XXZ=            -21.4343  XZZ=              8.4769  YZZ=             -4.8108
  YYZ=             -5.2821  XYZ=             17.6107
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5057.6034 YYYY=           -712.1329 ZZZZ=           -510.6491 XXXY=            -24.2463
 XXXZ=             92.4265 YYYX=            -85.3590 YYYZ=            -24.1242 ZZZX=             11.9119
 ZZZY=            -21.9384 XXYY=           -913.0701 XXZZ=           -969.4822 YYZZ=           -218.3018
 XXYZ=            -64.0842 YYXZ=             44.9175 ZZXY=             11.8477
 N-N= 9.726167109656D+02 E-N=-3.467925443259D+03  KE= 6.490946658220D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 13:47:05 2021, MaxMem=  6442450944 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.14295476D-01-2.73838548D-01-5.59695094D-01
 Polarizability= 2.07574945D+02-1.91561303D+00 1.29421724D+02
                -1.16276622D-01-6.93531923D+00 1.42423764D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2189    0.2208       -1.2890   -1.2884
 2     -0.2189   -0.2208        3.5395    3.5422      -43.2811  -43.2838
 3      1.2890    1.2884       36.5385   36.5403       -3.5411   -3.5422
 4     -3.5395   -3.5422       -0.0000    0.0000        1.2893    1.2884
 5      6.7426    6.7435       -1.2893   -1.2884        0.2197    0.2208
 6      3.5411    3.5422       -0.2197   -0.2208       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.6624   -0.6624       -3.8653   -3.8653
 2    -10.6265  -10.6265        0.0000    0.0000       -3.8653   -3.8653
 3    -10.6265  -10.6265       -0.6624   -0.6624       -0.0000    0.0000
 4     -0.6624   -0.6624       10.6265   10.6265     -129.8513 -129.8513
 5      3.8653    3.8653      109.6210  109.6210      -10.6265  -10.6265
 6     20.2304   20.2304       -3.8653   -3.8653        0.6624    0.6624
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1807    0.0000       -0.9683   -0.8832        5.0286    5.1537
 2      0.8753    0.8832      -14.2795  -14.1687      173.0658  173.1351
 3     -5.2001   -5.1537     -146.2631 -146.1613       14.2550   14.1687
 4     14.2751   14.1687       -0.0233    0.0000       -5.1666   -5.1537
 5    -26.9236  -26.9738        5.0981    5.1537       -0.9873   -0.8832
 6    -14.1626  -14.1687        0.8735    0.8832       -0.0100    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0142    0.0000      -91.8371  -91.6364       -3.2306   -3.3719
 2     91.3869   91.6364      -11.2737  -11.3108       10.7132   10.9844
 3      3.2882    3.3719       24.8474   24.8108       11.5761   11.3108
 4     11.2926   11.3108        0.0548    0.0000        3.3888    3.3719
 5    -35.9113  -35.7952       -3.3653   -3.3719      -91.8070  -91.6364
 6    -11.2794  -11.3108       91.6363   91.6364       -0.1345    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -13.5133  -13.3236       -1.6414   -1.4883      -13.8112  -13.9117
 2     12.6724   12.8225      -66.8597  -66.6965      -13.7745  -13.9117
 3     12.6685   12.8225       -1.6489   -1.4883      -15.5557  -15.7250
 4     65.1179   65.2082      -26.2240  -26.1461       18.0684   18.0371
 5     -1.7564   -1.8133       29.3754   29.3570       26.1686   26.1461
 6    -47.4742  -47.3941        1.8508    1.8133      -65.6137  -65.2082
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9615   -0.0011   -0.0005    0.0005    2.0155    2.4544
 Low frequencies ---   22.1407   36.9610   44.7806
 Diagonal vibrational polarizability:
       33.7798898      31.2611392       9.9312678
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.1335                36.9606                44.7792
 Red. masses --      3.7021                 6.2482                 3.6274
 Frc consts  --      0.0011                 0.0050                 0.0043
 IR Inten    --      0.4799                 0.6865                 0.3438
 RamAct Fr= 1--      0.5084                 1.0016                 2.3276
  Dep-P Fr= 1--      0.7489                 0.6817                 0.7406
  Dep-U Fr= 1--      0.8564                 0.8107                 0.8509
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0004
 Beta2  Fr= 1--      0.0726                 0.1353                 0.3301
 AlphaG Fr= 1--     -0.0003                 0.0058                -0.0067
 Gamma2 Fr= 1--      0.4676                -0.1624                -1.3119
 Delta2 Fr= 1--      0.2456                 0.2574                -1.1279
 Raman1 Fr= 1--       2.034                  4.006                  9.311
 ROA1   Fr= 1--      52.749                 -7.356               -162.035
 CID1   Fr= 1--      25.937                 -1.836                -17.403
 Raman2 Fr= 1--       0.871                  1.624                  3.961
 ROA2   Fr= 1--       9.258                 -5.957                -22.462
 CID2   Fr= 1--      10.631                 -3.668                 -5.670
 Raman3 Fr= 1--       1.742                  3.248                  7.923
 ROA3   Fr= 1--      52.749                 -7.356               -162.035
 CID3   Fr= 1--      30.285                 -2.265                -20.452
 RC180  Fr= 1--       0.713                  0.621                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11   0.00    -0.01  -0.11  -0.05    -0.02  -0.13  -0.07
     2   6     0.00   0.04  -0.05    -0.01  -0.07  -0.03     0.00  -0.00  -0.03
     3   6    -0.02   0.11   0.04    -0.01  -0.12  -0.05    -0.01  -0.13  -0.06
     4   6     0.01   0.05   0.03    -0.01  -0.09  -0.03     0.01  -0.01  -0.01
     5   6     0.03  -0.02  -0.01    -0.01  -0.07  -0.03     0.03   0.12   0.02
     6   6     0.03  -0.03  -0.05    -0.01  -0.07  -0.03     0.03   0.12   0.01
     7   6    -0.00   0.03  -0.09    -0.01   0.01  -0.01     0.00   0.01  -0.06
     8   6     0.04  -0.07   0.03    -0.10   0.03   0.05     0.02  -0.05   0.02
     9   6     0.04   0.00   0.21    -0.22   0.03   0.14    -0.08   0.00   0.22
    10   6     0.04  -0.09  -0.05    -0.08   0.17   0.02     0.01   0.02  -0.12
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.01   0.02
    12   6    -0.04   0.01  -0.05     0.14   0.05  -0.01     0.00   0.01   0.00
    13   8     0.01   0.10  -0.10     0.42   0.14  -0.01    -0.16  -0.03  -0.01
    14   8    -0.15  -0.12  -0.10    -0.04  -0.02  -0.02     0.18   0.05   0.00
    15   1    -0.04   0.17   0.01    -0.02  -0.13  -0.05    -0.03  -0.22  -0.10
    16   1    -0.04   0.17   0.08    -0.02  -0.14  -0.05    -0.03  -0.22  -0.09
    17   1     0.06  -0.08  -0.02    -0.00  -0.05  -0.02     0.04   0.22   0.06
    18   1     0.05  -0.09  -0.09    -0.00  -0.04  -0.02     0.04   0.22   0.04
    19   1    -0.03   0.15  -0.09     0.01   0.07  -0.00    -0.02   0.09  -0.06
    20   1    -0.01  -0.03  -0.21     0.04   0.02  -0.04     0.01  -0.03  -0.14
    21   1     0.08  -0.20   0.03    -0.08  -0.06   0.05     0.10  -0.19   0.04
    22   1     0.05   0.01   0.26    -0.23  -0.06   0.18    -0.08  -0.05   0.34
    23   1     0.01   0.13   0.21    -0.25   0.12   0.14    -0.18   0.14   0.21
    24   1     0.08  -0.07   0.29    -0.27   0.04   0.18    -0.07  -0.04   0.27
    25   1    -0.00   0.04  -0.06    -0.09   0.27   0.02    -0.07   0.17  -0.15
    26   1     0.03  -0.15  -0.18     0.01   0.16  -0.05     0.09  -0.03  -0.28
    27   1     0.07  -0.16   0.03    -0.15   0.17   0.08     0.03  -0.04  -0.06
    28   1     0.05   0.10   0.10    -0.00   0.03   0.00     0.02   0.02   0.02
    29   6     0.03  -0.10   0.15    -0.08   0.04   0.02    -0.02   0.01   0.04
    30   1    -0.18  -0.11  -0.17     0.09   0.02  -0.03     0.15   0.04  -0.01
    31   1     0.02  -0.19   0.11    -0.07   0.01   0.01    -0.06   0.01   0.03
    32   1     0.03  -0.11   0.14    -0.07   0.13   0.03    -0.02   0.01   0.08
    33   1     0.06  -0.08   0.24    -0.16   0.02   0.03    -0.03   0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.9946                67.7142               111.2610
 Red. masses --      4.4675                 3.0946                 4.5657
 Frc consts  --      0.0080                 0.0084                 0.0333
 IR Inten    --      0.2463                 0.0415                 0.0041
 RamAct Fr= 1--      3.5357                 0.1367                 2.6843
  Dep-P Fr= 1--      0.7492                 0.7472                 0.7244
  Dep-U Fr= 1--      0.8566                 0.8553                 0.8402
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.5048                 0.0195                 0.3759
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0007
 Gamma2 Fr= 1--      0.7336                 0.5408                -1.0559
 Delta2 Fr= 1--      0.3254                 0.2604                -0.2853
 Raman1 Fr= 1--      14.143                  0.547                 10.737
 ROA1   Fr= 1--      80.843                 60.253               -110.493
 CID1   Fr= 1--       5.716                110.223                -10.291
 Raman2 Fr= 1--       6.057                  0.234                  4.511
 ROA2   Fr= 1--      15.004                 10.897                -23.059
 CID2   Fr= 1--       2.477                 46.614                 -5.112
 Raman3 Fr= 1--      12.115                  0.468                  9.021
 ROA3   Fr= 1--      80.843                 60.253               -110.493
 CID3   Fr= 1--       6.673                128.868                -12.248
 RC180  Fr= 1--       0.713                  0.711                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.08    -0.04  -0.02  -0.09    -0.08   0.10   0.07
     2   6    -0.01   0.09  -0.02    -0.00   0.00  -0.11    -0.07   0.13   0.07
     3   6    -0.04  -0.11  -0.08    -0.04  -0.03  -0.04    -0.09  -0.03   0.04
     4   6    -0.02   0.01  -0.04     0.01  -0.02  -0.02    -0.08  -0.13   0.01
     5   6    -0.00   0.20   0.02     0.04  -0.02  -0.05    -0.08  -0.10   0.01
     6   6     0.00   0.24   0.03     0.04  -0.01  -0.09    -0.07   0.02   0.04
     7   6    -0.01   0.05  -0.03    -0.00   0.05  -0.11    -0.07   0.13   0.03
     8   6     0.04  -0.02   0.02    -0.06   0.02   0.01     0.05   0.07  -0.00
     9   6     0.15   0.01   0.03     0.06   0.03  -0.05     0.16   0.11   0.02
    10   6     0.03  -0.13   0.09    -0.06  -0.02   0.25     0.03  -0.08  -0.10
    11   6    -0.02  -0.05  -0.05     0.02   0.01   0.06    -0.08  -0.10  -0.00
    12   6    -0.02  -0.05   0.03     0.02   0.01   0.02     0.07  -0.05  -0.03
    13   8     0.15  -0.05   0.07    -0.05   0.02  -0.00     0.11  -0.01  -0.05
    14   8    -0.20  -0.04   0.05     0.11   0.00   0.01     0.22  -0.04  -0.04
    15   1    -0.04  -0.18  -0.11    -0.07  -0.02  -0.10    -0.08   0.17   0.09
    16   1    -0.05  -0.25  -0.13    -0.07  -0.04  -0.02    -0.09  -0.04   0.04
    17   1     0.01   0.30   0.06     0.08  -0.02  -0.03    -0.08  -0.17  -0.01
    18   1     0.01   0.37   0.07     0.07  -0.01  -0.11    -0.06   0.03   0.04
    19   1    -0.02   0.09  -0.03     0.01   0.15  -0.10    -0.12   0.13   0.02
    20   1    -0.05   0.01  -0.09     0.02   0.03  -0.18    -0.08   0.10  -0.01
    21   1    -0.00  -0.03   0.01    -0.23   0.02  -0.04     0.11   0.10   0.01
    22   1     0.16   0.07  -0.03     0.04   0.04  -0.26     0.18   0.21   0.04
    23   1     0.23   0.03   0.05     0.26   0.05  -0.00     0.14   0.09   0.01
    24   1     0.16  -0.02   0.09    -0.04   0.02   0.06     0.25   0.06   0.01
    25   1     0.08  -0.15   0.10     0.12  -0.05   0.31    -0.04  -0.14  -0.12
    26   1    -0.05  -0.16   0.09    -0.15  -0.02   0.33    -0.04  -0.11  -0.10
    27   1     0.07  -0.17   0.11    -0.12  -0.02   0.32     0.15  -0.13  -0.15
    28   1    -0.01  -0.10  -0.06     0.07   0.06   0.09    -0.12  -0.07  -0.00
    29   6    -0.01  -0.01  -0.08    -0.06  -0.03   0.15    -0.14  -0.04  -0.01
    30   1    -0.17  -0.04   0.10     0.10   0.00  -0.02     0.35   0.00  -0.06
    31   1    -0.05   0.05  -0.07    -0.11  -0.08   0.12    -0.10  -0.07  -0.01
    32   1    -0.01  -0.05  -0.06    -0.04   0.00   0.21    -0.14   0.06  -0.02
    33   1     0.01  -0.01  -0.14    -0.07  -0.03   0.18    -0.24  -0.07   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    166.7511               197.8825               227.3930
 Red. masses --      3.8068                 2.9367                 1.1098
 Frc consts  --      0.0624                 0.0678                 0.0338
 IR Inten    --      0.1772                 0.0236                 0.0260
 RamAct Fr= 1--      1.1855                 0.4200                 0.2381
  Dep-P Fr= 1--      0.2099                 0.6581                 0.7443
  Dep-U Fr= 1--      0.3470                 0.7938                 0.8534
 Alpha2 Fr= 1--      0.0157                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0686                 0.0556                 0.0339
 AlphaG Fr= 1--     -0.0030                -0.0031                 0.0002
 Gamma2 Fr= 1--     -0.0148                 0.4782                 0.0517
 Delta2 Fr= 1--     -0.0283                 0.3487                 0.0887
 Raman1 Fr= 1--       4.742                  1.680                  0.953
 ROA1   Fr= 1--      -2.322                 57.063                  7.804
 CID1   Fr= 1--      -0.490                 33.966                  8.193
 Raman2 Fr= 1--       0.823                  0.667                  0.406
 ROA2   Fr= 1--      -0.128                  8.686                  0.532
 CID2   Fr= 1--      -0.156                 13.027                  1.308
 Raman3 Fr= 1--       1.646                  1.334                  0.813
 ROA3   Fr= 1--      -2.322                 57.063                  7.804
 CID3   Fr= 1--      -1.411                 42.788                  9.600
 RC180  Fr= 1--      -0.306                  0.588                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.08   0.02    -0.05  -0.11   0.03    -0.00   0.02   0.00
     2   6    -0.06   0.02  -0.02     0.00  -0.05   0.01     0.01   0.01  -0.00
     3   6    -0.05   0.10   0.09    -0.03  -0.11   0.09    -0.00   0.00   0.01
     4   6     0.00   0.06   0.10     0.00  -0.06   0.12    -0.00  -0.01   0.01
     5   6     0.02   0.10   0.10     0.04  -0.09   0.08     0.01   0.00   0.01
     6   6     0.01   0.08   0.03     0.04  -0.08   0.02     0.01   0.02   0.00
     7   6    -0.08  -0.03  -0.10     0.00   0.07  -0.10     0.01  -0.01  -0.01
     8   6    -0.11  -0.06  -0.04     0.00   0.04  -0.04     0.01  -0.01  -0.01
     9   6    -0.11  -0.05  -0.03     0.08   0.09   0.02    -0.00  -0.03  -0.03
    10   6    -0.11  -0.05   0.03     0.00   0.00  -0.01     0.01   0.02   0.04
    11   6    -0.00  -0.05   0.01    -0.01   0.02   0.03    -0.00  -0.01   0.00
    12   6     0.04  -0.04  -0.00    -0.02   0.03   0.00     0.00  -0.01   0.00
    13   8     0.10  -0.01  -0.01    -0.07   0.07  -0.03    -0.01  -0.00  -0.00
    14   8     0.14  -0.04  -0.01    -0.06  -0.02  -0.02    -0.00  -0.03  -0.00
    15   1    -0.10   0.08   0.01    -0.09  -0.13   0.00    -0.01   0.02   0.00
    16   1    -0.09   0.12   0.13    -0.06  -0.13   0.10    -0.01   0.00   0.02
    17   1     0.05   0.12   0.12     0.08  -0.09   0.10     0.02   0.00   0.01
    18   1     0.06   0.09  -0.00     0.07  -0.08   0.00     0.02   0.03  -0.00
    19   1    -0.11   0.03  -0.11    -0.09   0.18  -0.12     0.01  -0.02  -0.01
    20   1    -0.07  -0.05  -0.16     0.10   0.05  -0.22    -0.01  -0.01  -0.01
    21   1    -0.16  -0.09  -0.06    -0.02  -0.00  -0.05    -0.01  -0.01  -0.01
    22   1    -0.12  -0.08  -0.07     0.05   0.05  -0.18     0.03   0.08   0.20
    23   1    -0.07  -0.02  -0.01     0.30   0.22   0.08    -0.24  -0.15  -0.10
    24   1    -0.15  -0.05   0.02    -0.06   0.04   0.22     0.19  -0.02  -0.23
    25   1    -0.04  -0.02   0.06     0.02  -0.01  -0.01     0.11   0.45   0.07
    26   1    -0.14  -0.07   0.02    -0.02   0.00  -0.00    -0.02  -0.16  -0.33
    27   1    -0.13  -0.07   0.09     0.01  -0.00  -0.01    -0.04  -0.19   0.41
    28   1    -0.08  -0.09  -0.02    -0.13  -0.01  -0.01    -0.02  -0.02  -0.00
    29   6     0.21  -0.07  -0.12     0.08   0.14  -0.13    -0.03   0.03  -0.01
    30   1     0.24  -0.01  -0.03    -0.11  -0.03  -0.05    -0.01  -0.03  -0.02
    31   1     0.27   0.01  -0.07     0.32   0.14  -0.08     0.17  -0.10  -0.02
    32   1     0.18  -0.23  -0.24     0.04   0.28  -0.35    -0.04   0.26  -0.16
    33   1     0.35  -0.03  -0.15    -0.07   0.10  -0.10    -0.23  -0.02   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    233.4609               250.0540               254.4118
 Red. masses --      1.1277                 1.4921                 1.6414
 Frc consts  --      0.0362                 0.0550                 0.0626
 IR Inten    --      0.0024                 0.0864                 0.1041
 RamAct Fr= 1--      0.1754                 1.1591                 0.4525
  Dep-P Fr= 1--      0.7112                 0.4618                 0.5543
  Dep-U Fr= 1--      0.8312                 0.6318                 0.7133
 Alpha2 Fr= 1--      0.0001                 0.0068                 0.0017
 Beta2  Fr= 1--      0.0243                 0.1220                 0.0538
 AlphaG Fr= 1--      0.0003                -0.0230                -0.0055
 Gamma2 Fr= 1--      0.1032                -0.8227                 0.4728
 Delta2 Fr= 1--      0.0471                 0.0448                 0.1054
 Raman1 Fr= 1--       0.701                  4.636                  1.810
 ROA1   Fr= 1--      11.411                -77.546                 48.760
 CID1   Fr= 1--      16.267                -16.725                 26.937
 Raman2 Fr= 1--       0.292                  1.465                  0.646
 ROA2   Fr= 1--       2.099                -20.104                 10.503
 CID2   Fr= 1--       7.201                -13.726                 16.270
 Raman3 Fr= 1--       0.583                  2.929                  1.291
 ROA3   Fr= 1--      11.411                -77.546                 48.760
 CID3   Fr= 1--      19.570                -26.474                 37.765
 RC180  Fr= 1--       0.662                  0.264                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.00    -0.01  -0.05  -0.03     0.00  -0.04   0.00
     2   6     0.01   0.01  -0.01    -0.02  -0.01  -0.01    -0.02  -0.03   0.02
     3   6     0.01   0.03  -0.00    -0.01  -0.04  -0.02     0.00  -0.01  -0.02
     4   6     0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.01   0.02  -0.02
     5   6     0.01   0.03  -0.00    -0.00  -0.02  -0.01    -0.04  -0.00  -0.01
     6   6     0.01   0.04  -0.00    -0.01  -0.04  -0.02    -0.04  -0.03   0.01
     7   6     0.01  -0.02  -0.00    -0.02   0.04   0.02    -0.02  -0.00   0.02
     8   6    -0.00  -0.02   0.00    -0.03   0.04   0.02    -0.01   0.01  -0.01
     9   6    -0.03  -0.03   0.01     0.01   0.06   0.02     0.04   0.03  -0.01
    10   6    -0.00  -0.00  -0.00    -0.04  -0.06   0.00    -0.01   0.01  -0.03
    11   6     0.01  -0.01  -0.01     0.02   0.03  -0.00    -0.01   0.02  -0.03
    12   6     0.01  -0.02   0.00     0.00   0.03  -0.00    -0.01   0.03  -0.03
    13   8     0.00  -0.03   0.01     0.00   0.00   0.01     0.02  -0.02   0.02
    14   8     0.00  -0.02   0.00    -0.01   0.06   0.01    -0.01   0.11   0.02
    15   1     0.01   0.05   0.00    -0.01  -0.07  -0.04     0.02  -0.05   0.01
    16   1     0.01   0.04   0.00    -0.01  -0.05  -0.02     0.02  -0.00  -0.03
    17   1     0.01   0.03  -0.00    -0.01  -0.03  -0.01    -0.06   0.01  -0.02
    18   1     0.01   0.05   0.00     0.00  -0.04  -0.03    -0.06  -0.04   0.02
    19   1     0.01  -0.01  -0.00     0.00   0.06   0.02    -0.02  -0.04   0.02
    20   1    -0.01  -0.02  -0.00    -0.00   0.05   0.02    -0.00   0.02   0.06
    21   1     0.00  -0.03   0.00    -0.02   0.06   0.03     0.00   0.02  -0.01
    22   1    -0.06  -0.11  -0.10     0.07   0.26   0.40     0.00  -0.06  -0.31
    23   1     0.08   0.03   0.04    -0.39  -0.11  -0.09     0.37   0.15   0.08
    24   1    -0.15  -0.01   0.10     0.35   0.02  -0.27    -0.17   0.02   0.23
    25   1    -0.04  -0.25  -0.02    -0.08  -0.28  -0.02     0.01   0.33  -0.02
    26   1     0.04   0.11   0.22    -0.10  -0.00   0.16    -0.02  -0.12  -0.32
    27   1     0.00   0.13  -0.22     0.04  -0.00  -0.17    -0.00  -0.15   0.21
    28   1     0.01  -0.01  -0.00     0.01   0.05   0.01    -0.00   0.07  -0.01
    29   6    -0.03   0.01   0.01     0.10  -0.06   0.01     0.06  -0.12   0.03
    30   1    -0.01  -0.02  -0.00    -0.03   0.05   0.05     0.01   0.11   0.09
    31   1     0.33  -0.29  -0.04     0.25  -0.21  -0.01     0.20  -0.33  -0.02
    32   1    -0.06   0.42  -0.26     0.07   0.01  -0.14     0.04  -0.06  -0.11
    33   1    -0.40  -0.09   0.33     0.05  -0.06   0.20     0.03  -0.12   0.28
                     13                     14                     15
                      A                      A                      A
 Frequencies --    297.2565               318.5885               346.0931
 Red. masses --      2.7188                 3.6183                 3.2536
 Frc consts  --      0.1415                 0.2164                 0.2296
 IR Inten    --      0.2623                 0.7609                 0.4049
 RamAct Fr= 1--      1.5608                 0.6541                 2.4128
  Dep-P Fr= 1--      0.1666                 0.4681                 0.6099
  Dep-U Fr= 1--      0.2856                 0.6377                 0.7577
 Alpha2 Fr= 1--      0.0231                 0.0037                 0.0062
 Beta2  Fr= 1--      0.0743                 0.0695                 0.3047
 AlphaG Fr= 1--      0.0097                 0.0074                 0.0127
 Gamma2 Fr= 1--     -0.0880                 0.1296                 0.9677
 Delta2 Fr= 1--     -0.1901                -0.0739                 0.0492
 Raman1 Fr= 1--       6.243                  2.616                  9.651
 ROA1   Fr= 1--     -14.527                 10.081                 94.470
 CID1   Fr= 1--      -2.327                  3.853                  9.788
 Raman2 Fr= 1--       0.892                  0.834                  3.656
 ROA2   Fr= 1--      -0.590                  3.703                 22.830
 CID2   Fr= 1--      -0.662                  4.439                  6.244
 Raman3 Fr= 1--       1.783                  1.668                  7.313
 ROA3   Fr= 1--     -14.527                 10.081                 94.470
 CID3   Fr= 1--      -8.147                  6.042                 12.919
 RC180  Fr= 1--      -0.429                  0.275                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.03     0.08   0.03   0.10    -0.04   0.09  -0.04
     2   6     0.01   0.01  -0.00     0.05  -0.00   0.08    -0.00   0.20  -0.02
     3   6    -0.06  -0.02   0.06     0.09  -0.01   0.06    -0.05  -0.13  -0.02
     4   6    -0.06  -0.03   0.05     0.07  -0.07   0.02     0.01  -0.13   0.01
     5   6    -0.02  -0.02   0.03     0.06  -0.02   0.07     0.05  -0.14  -0.03
     6   6    -0.00   0.01   0.00     0.08   0.03   0.11     0.05   0.08  -0.04
     7   6     0.04  -0.02  -0.10    -0.00   0.05  -0.12    -0.00   0.07   0.08
     8   6     0.10  -0.08  -0.03    -0.06   0.02  -0.06     0.05   0.00   0.08
     9   6     0.03  -0.09   0.00    -0.09   0.03  -0.02    -0.12  -0.12  -0.05
    10   6     0.15   0.14   0.07    -0.08  -0.12   0.01     0.04  -0.07  -0.00
    11   6    -0.09  -0.01  -0.03     0.06   0.00  -0.09     0.03   0.01   0.03
    12   6    -0.04   0.03  -0.05     0.04   0.01  -0.11     0.02   0.05   0.00
    13   8     0.02  -0.01  -0.01     0.01  -0.12  -0.04    -0.04   0.06  -0.01
    14   8    -0.02   0.13  -0.00    -0.07   0.16  -0.04    -0.03   0.06   0.01
    15   1    -0.10   0.02   0.02     0.11   0.07   0.13    -0.09   0.13  -0.05
    16   1    -0.06  -0.03   0.06     0.09   0.01   0.06    -0.11  -0.21  -0.01
    17   1     0.02  -0.03   0.05     0.05  -0.01   0.07     0.09  -0.23  -0.03
    18   1    -0.00   0.02   0.00     0.09   0.07   0.13     0.11   0.11  -0.08
    19   1    -0.06   0.10  -0.12    -0.16   0.22  -0.15     0.09   0.03   0.11
    20   1     0.03  -0.08  -0.25     0.13   0.03  -0.30    -0.15   0.02   0.12
    21   1     0.08  -0.13  -0.04    -0.10  -0.02  -0.07     0.09   0.04   0.10
    22   1     0.05  -0.08   0.16    -0.09  -0.00   0.04    -0.17  -0.37  -0.20
    23   1    -0.14  -0.14  -0.04    -0.15   0.06  -0.03    -0.02  -0.17  -0.03
    24   1     0.12  -0.08  -0.11    -0.09   0.03  -0.02    -0.39   0.07  -0.07
    25   1     0.23   0.01   0.09    -0.02  -0.14   0.03    -0.02  -0.03  -0.02
    26   1     0.32   0.30   0.29    -0.25  -0.17  -0.00    -0.02  -0.14  -0.09
    27   1    -0.07   0.36  -0.05     0.00  -0.21   0.06     0.14  -0.16   0.03
    28   1    -0.14   0.04  -0.02     0.01   0.10  -0.06    -0.02   0.04   0.03
    29   6    -0.02  -0.10  -0.02    -0.11  -0.01   0.04     0.09   0.00   0.00
    30   1     0.05   0.14   0.09    -0.18   0.10   0.12    -0.12   0.03   0.05
    31   1    -0.03  -0.14  -0.03    -0.32  -0.02  -0.00     0.11   0.04   0.02
    32   1    -0.03  -0.18  -0.03    -0.07   0.03   0.27     0.08  -0.07  -0.05
    33   1     0.06  -0.07   0.04    -0.14  -0.02  -0.01     0.16   0.02  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    387.4705               407.3287               419.2855
 Red. masses --      2.6957                 2.5949                 2.9481
 Frc consts  --      0.2385                 0.2537                 0.3054
 IR Inten    --      0.7465                 0.3626                 0.0296
 RamAct Fr= 1--      0.2538                 6.7110                 0.0390
  Dep-P Fr= 1--      0.3969                 0.1049                 0.2829
  Dep-U Fr= 1--      0.5682                 0.1899                 0.4411
 Alpha2 Fr= 1--      0.0019                 0.1161                 0.0004
 Beta2  Fr= 1--      0.0240                 0.2124                 0.0029
 AlphaG Fr= 1--      0.0029                -0.0234                -0.0104
 Gamma2 Fr= 1--      0.3944                -0.2635                -0.3069
 Delta2 Fr= 1--      0.1805                 0.2319                -0.0639
 Raman1 Fr= 1--       1.015                 26.844                  0.156
 ROA1   Fr= 1--      43.638                -17.875                -31.509
 CID1   Fr= 1--      42.981                 -0.666               -201.870
 Raman2 Fr= 1--       0.288                  2.549                  0.034
 ROA2   Fr= 1--       8.022                 -8.180                 -6.855
 CID2   Fr= 1--      27.810                 -3.209               -199.140
 Raman3 Fr= 1--       0.577                  5.097                  0.069
 ROA3   Fr= 1--      43.638                -17.875                -31.509
 CID3   Fr= 1--      75.638                 -3.507               -457.665
 RC180  Fr= 1--       0.136                 -0.620                 -0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.07     0.00   0.06   0.02    -0.02  -0.19  -0.08
     2   6     0.00   0.01   0.13    -0.06   0.05   0.05    -0.00   0.00  -0.02
     3   6     0.05   0.01  -0.09     0.01  -0.04  -0.06     0.01   0.19   0.08
     4   6    -0.02   0.03  -0.11     0.05  -0.06  -0.05     0.00  -0.01   0.01
     5   6    -0.10  -0.04  -0.09    -0.02  -0.04  -0.00    -0.00  -0.20  -0.06
     6   6    -0.07   0.00   0.10    -0.02   0.03   0.06     0.03   0.20   0.06
     7   6    -0.01   0.09  -0.11    -0.10  -0.02  -0.03    -0.00  -0.02   0.01
     8   6     0.05  -0.00  -0.04    -0.10  -0.10   0.06    -0.01  -0.00   0.01
     9   6    -0.07  -0.03  -0.03     0.12  -0.08   0.00     0.02   0.00   0.01
    10   6     0.06  -0.03   0.03    -0.10   0.12  -0.04    -0.01   0.01  -0.01
    11   6     0.00   0.02   0.01     0.10   0.03   0.00     0.00  -0.00   0.00
    12   6    -0.02   0.01   0.08     0.07   0.01  -0.01     0.00  -0.00  -0.01
    13   8    -0.02   0.08   0.04    -0.01  -0.04  -0.00     0.00  -0.00  -0.01
    14   8     0.03  -0.09   0.04    -0.01  -0.00  -0.01    -0.00   0.01  -0.00
    15   1     0.16  -0.10   0.10     0.06   0.07   0.05    -0.05  -0.40  -0.16
    16   1     0.14   0.02  -0.15    -0.01  -0.07  -0.06     0.02   0.43   0.17
    17   1    -0.21  -0.07  -0.15    -0.08  -0.04  -0.03    -0.01  -0.42  -0.13
    18   1    -0.17   0.01   0.17    -0.01   0.04   0.05     0.06   0.44   0.13
    19   1    -0.26   0.38  -0.16    -0.16   0.13  -0.04     0.03  -0.05   0.02
    20   1     0.13   0.01  -0.44    -0.10  -0.09  -0.19    -0.01  -0.00   0.05
    21   1     0.03  -0.04  -0.04    -0.11  -0.12   0.06    -0.01   0.00   0.01
    22   1    -0.08  -0.16   0.01     0.16   0.19  -0.09     0.02   0.04   0.00
    23   1    -0.13  -0.02  -0.04     0.23  -0.23   0.02     0.02  -0.00   0.01
    24   1    -0.15   0.04  -0.07     0.29  -0.16  -0.04     0.04  -0.01   0.01
    25   1     0.14  -0.05   0.06    -0.24   0.19  -0.08    -0.03   0.01  -0.01
    26   1    -0.02  -0.05   0.06     0.18   0.20  -0.06     0.01   0.01  -0.01
    27   1     0.05  -0.06   0.08    -0.23   0.26  -0.13    -0.02   0.02  -0.02
    28   1     0.09  -0.04   0.00     0.12   0.06   0.02    -0.00   0.00   0.00
    29   6     0.05  -0.01   0.00     0.07   0.06   0.05    -0.01  -0.00   0.00
    30   1     0.05  -0.06  -0.07    -0.20  -0.05  -0.01    -0.01   0.00   0.01
    31   1     0.11  -0.04   0.00     0.04   0.07   0.04    -0.01   0.01   0.00
    32   1     0.04  -0.05  -0.07     0.07   0.07   0.08    -0.01  -0.00   0.01
    33   1     0.09   0.00   0.06     0.06   0.06   0.02    -0.00  -0.00  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    427.6289               453.8464               552.7255
 Red. masses --      2.2153                 4.3149                 2.3165
 Frc consts  --      0.2387                 0.5236                 0.4170
 IR Inten    --      0.1881                 3.3720                15.0860
 RamAct Fr= 1--      0.9242                 1.7197                 0.7929
  Dep-P Fr= 1--      0.7256                 0.2845                 0.5069
  Dep-U Fr= 1--      0.8410                 0.4429                 0.6728
 Alpha2 Fr= 1--      0.0004                 0.0185                 0.0038
 Beta2  Fr= 1--      0.1295                 0.1270                 0.0889
 AlphaG Fr= 1--      0.0022                 0.0140                 0.0063
 Gamma2 Fr= 1--     -0.3423                -0.2265                -0.3327
 Delta2 Fr= 1--     -0.0934                -0.4468                -0.0136
 Raman1 Fr= 1--       3.697                  6.879                  3.172
 ROA1   Fr= 1--     -35.849                -36.042                -32.378
 CID1   Fr= 1--      -9.698                 -5.240                -10.209
 Raman2 Fr= 1--       1.554                  1.523                  1.067
 ROA2   Fr= 1--      -7.467                 -1.862                 -7.876
 CID2   Fr= 1--      -4.804                 -1.222                 -7.382
 Raman3 Fr= 1--       3.109                  3.047                  2.134
 ROA3   Fr= 1--     -35.849                -36.042                -32.378
 CID3   Fr= 1--     -11.532                -11.829                -15.174
 RC180  Fr= 1--       0.682                 -0.114                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.02     0.11   0.06   0.05     0.04  -0.03  -0.01
     2   6     0.01  -0.04  -0.03     0.11  -0.04  -0.02     0.03   0.19   0.06
     3   6    -0.01   0.05   0.03     0.09  -0.03   0.02     0.04  -0.05   0.00
     4   6    -0.00   0.09   0.04    -0.02  -0.11  -0.04     0.04   0.19   0.07
     5   6     0.01   0.05   0.02     0.07   0.00  -0.03     0.04  -0.05  -0.00
     6   6     0.01  -0.06  -0.04     0.09   0.07  -0.00     0.04  -0.03  -0.00
     7   6     0.02   0.13   0.01     0.08  -0.04  -0.03    -0.02  -0.00  -0.01
     8   6     0.01   0.03   0.20    -0.10  -0.03   0.07    -0.03  -0.04  -0.04
     9   6     0.01  -0.09  -0.04     0.05  -0.01  -0.00     0.00  -0.02   0.01
    10   6    -0.01  -0.00  -0.04    -0.15   0.01  -0.04    -0.05   0.01  -0.00
    11   6    -0.02   0.00  -0.01    -0.12  -0.09  -0.03    -0.03   0.02  -0.03
    12   6    -0.02  -0.02  -0.02    -0.10   0.03   0.10    -0.09  -0.01  -0.00
    13   8     0.02  -0.05   0.00    -0.05   0.24  -0.00     0.02  -0.01   0.02
    14   8     0.01  -0.00  -0.02     0.00   0.01   0.09    -0.01  -0.02  -0.01
    15   1    -0.04  -0.10  -0.04     0.10   0.18   0.08     0.02  -0.34  -0.11
    16   1    -0.01   0.07   0.04     0.14   0.03   0.00     0.02  -0.37  -0.11
    17   1     0.03   0.06   0.03     0.13   0.06   0.01     0.03  -0.37  -0.10
    18   1     0.01  -0.09  -0.05     0.08   0.16   0.05     0.04  -0.34  -0.13
    19   1     0.02   0.50   0.02     0.12   0.07  -0.02    -0.04  -0.10  -0.01
    20   1     0.11   0.03  -0.30     0.14  -0.03  -0.08    -0.13  -0.02   0.06
    21   1     0.04   0.05   0.21    -0.15  -0.05   0.05    -0.05  -0.06  -0.05
    22   1    -0.01  -0.12  -0.20     0.07   0.18  -0.08     0.01   0.03   0.01
    23   1     0.10  -0.39  -0.04     0.14  -0.13   0.01     0.02   0.02   0.01
    24   1    -0.07   0.08  -0.23     0.17  -0.07  -0.03     0.05  -0.08   0.05
    25   1    -0.26   0.05  -0.11    -0.32   0.03  -0.10    -0.02   0.02   0.01
    26   1     0.07  -0.04  -0.17    -0.07   0.00  -0.12    -0.02   0.03   0.02
    27   1     0.13  -0.04  -0.12    -0.08   0.02  -0.12    -0.11   0.04   0.00
    28   1    -0.03   0.00  -0.01    -0.10  -0.18  -0.06    -0.02  -0.02  -0.04
    29   6    -0.04   0.00  -0.01    -0.08  -0.15  -0.10    -0.04  -0.01  -0.02
    30   1     0.08   0.02  -0.01     0.22   0.08   0.08     0.46   0.12  -0.05
    31   1    -0.06  -0.01  -0.01    -0.03  -0.17  -0.10    -0.09  -0.06  -0.04
    32   1    -0.03   0.03   0.02    -0.10  -0.22  -0.17    -0.03   0.03   0.03
    33   1    -0.07  -0.01  -0.01    -0.02  -0.13  -0.05    -0.08  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    580.9569               605.7165               635.4028
 Red. masses --      2.5614                 2.0820                 2.3004
 Frc consts  --      0.5093                 0.4501                 0.5472
 IR Inten    --     32.4678                65.8833                43.3908
 RamAct Fr= 1--      2.0795                 0.3527                 2.5924
  Dep-P Fr= 1--      0.1957                 0.6132                 0.4092
  Dep-U Fr= 1--      0.3273                 0.7603                 0.5807
 Alpha2 Fr= 1--      0.0286                 0.0009                 0.0186
 Beta2  Fr= 1--      0.1134                 0.0447                 0.2509
 AlphaG Fr= 1--     -0.0256                -0.0055                 0.0300
 Gamma2 Fr= 1--      0.5381                 0.0537                -0.5945
 Delta2 Fr= 1--      0.2943                 0.2046                -0.2911
 Raman1 Fr= 1--       8.318                  1.411                 10.370
 ROA1   Fr= 1--      61.073                 11.707                -66.384
 CID1   Fr= 1--       7.342                  8.298                 -6.402
 Raman2 Fr= 1--       1.361                  0.536                  3.011
 ROA2   Fr= 1--      10.559                 -0.347                -11.938
 CID2   Fr= 1--       7.756                 -0.647                 -3.965
 Raman3 Fr= 1--       2.723                  1.073                  6.022
 ROA3   Fr= 1--      61.073                 11.707                -66.384
 CID3   Fr= 1--      22.432                 10.914                -11.024
 RC180  Fr= 1--      -0.345                  0.521                  0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07    -0.02  -0.01  -0.03     0.03   0.03  -0.08
     2   6     0.08  -0.04  -0.01    -0.06  -0.03   0.01    -0.07  -0.05  -0.05
     3   6    -0.01  -0.05   0.00    -0.02   0.04  -0.06     0.06  -0.01   0.03
     4   6    -0.09  -0.04  -0.03     0.06  -0.02  -0.03     0.06  -0.08   0.01
     5   6    -0.03  -0.02  -0.08     0.03   0.02   0.01    -0.02  -0.04   0.11
     6   6    -0.00   0.06  -0.02     0.02  -0.04   0.04    -0.03   0.00   0.00
     7   6     0.10  -0.03  -0.02    -0.07   0.02   0.02    -0.07   0.02   0.01
     8   6    -0.02   0.00   0.01     0.01   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.00   0.00     0.04   0.00   0.00
    11   6    -0.09   0.05   0.11     0.07  -0.10   0.05     0.05   0.10  -0.12
    12   6    -0.09  -0.00  -0.05    -0.03  -0.10  -0.02    -0.00   0.09   0.04
    13   8     0.04  -0.11   0.03    -0.02   0.05  -0.11    -0.03  -0.01   0.10
    14   8    -0.04   0.00  -0.08    -0.07   0.06   0.06    -0.04  -0.07  -0.04
    15   1    -0.01   0.14   0.08     0.05   0.01   0.01     0.04   0.17  -0.03
    16   1     0.08   0.02  -0.03    -0.04   0.10  -0.02    -0.03   0.10   0.14
    17   1     0.02   0.03  -0.05    -0.02   0.09   0.00    -0.01   0.12   0.16
    18   1    -0.08   0.16   0.07     0.05   0.01   0.03     0.07   0.18  -0.01
    19   1     0.11  -0.00  -0.02    -0.09   0.02   0.02    -0.06   0.04   0.01
    20   1     0.14  -0.01  -0.03    -0.07   0.01  -0.00    -0.06   0.01  -0.02
    21   1    -0.06  -0.02  -0.00     0.05   0.02   0.01     0.04   0.03   0.01
    22   1     0.01   0.05  -0.01    -0.01  -0.03   0.01    -0.01  -0.03   0.00
    23   1     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    24   1     0.03  -0.01  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    25   1    -0.10  -0.02  -0.02     0.07   0.01   0.02     0.07   0.01   0.01
    26   1    -0.06  -0.02  -0.03     0.04   0.01   0.02     0.04   0.01   0.02
    27   1     0.01  -0.03  -0.03     0.00   0.01   0.02     0.01   0.01   0.02
    28   1    -0.07   0.15   0.15     0.12  -0.12   0.06     0.00   0.04  -0.15
    29   6     0.07   0.09   0.09     0.02   0.02   0.03    -0.01  -0.01  -0.03
    30   1     0.68   0.21  -0.12     0.74   0.24   0.38     0.67   0.16  -0.32
    31   1     0.23   0.21   0.16     0.06   0.14   0.07    -0.16  -0.22  -0.13
    32   1     0.04   0.01  -0.10     0.03   0.15   0.02     0.01  -0.05   0.12
    33   1     0.15   0.12   0.02    -0.12  -0.03  -0.12     0.04   0.01   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    662.8448               726.9254               753.0541
 Red. masses --      5.7867                 3.1266                 4.0165
 Frc consts  --      1.4980                 0.9734                 1.3420
 IR Inten    --      5.3118                20.3421                 7.6635
 RamAct Fr= 1--      6.3347                 1.6152                 3.3434
  Dep-P Fr= 1--      0.5285                 0.2100                 0.0846
  Dep-U Fr= 1--      0.6916                 0.3471                 0.1560
 Alpha2 Fr= 1--      0.0272                 0.0214                 0.0608
 Beta2  Fr= 1--      0.7301                 0.0934                 0.0869
 AlphaG Fr= 1--     -0.0655                -0.0131                 0.0014
 Gamma2 Fr= 1--     -0.2101                -0.7968                -0.5428
 Delta2 Fr= 1--     -0.1382                -0.1400                 0.0816
 Raman1 Fr= 1--      25.339                  6.461                 13.374
 ROA1   Fr= 1--     -24.597                -80.970                -49.493
 CID1   Fr= 1--      -0.971                -12.532                 -3.701
 Raman2 Fr= 1--       8.762                  1.121                  1.043
 ROA2   Fr= 1--      -3.938                -18.003                -13.679
 CID2   Fr= 1--      -0.449                -16.056                -13.113
 Raman3 Fr= 1--      17.523                  2.242                  2.086
 ROA3   Fr= 1--     -24.597                -80.970                -49.493
 CID3   Fr= 1--      -1.404                -36.107                -23.722
 RC180  Fr= 1--       0.383                 -0.306                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.04   0.18    -0.10   0.04   0.10    -0.01  -0.15   0.03
     2   6    -0.02  -0.05   0.08     0.05  -0.04  -0.02     0.08   0.22   0.07
     3   6    -0.25   0.07  -0.14    -0.10  -0.04   0.04     0.01   0.11   0.10
     4   6     0.02   0.01  -0.09    -0.03   0.08   0.03    -0.07  -0.21  -0.07
     5   6     0.24   0.03  -0.17    -0.08  -0.02  -0.02    -0.01   0.15  -0.02
     6   6     0.28  -0.08   0.16    -0.07   0.08  -0.01    -0.03  -0.10  -0.09
     7   6    -0.03  -0.01   0.03     0.16  -0.07  -0.05     0.04   0.07   0.00
     8   6     0.00   0.01   0.01     0.00   0.02   0.04     0.00  -0.02  -0.05
     9   6     0.00  -0.00   0.00    -0.01   0.03  -0.00     0.01  -0.06   0.01
    10   6     0.01   0.00   0.00    -0.02   0.00   0.01    -0.07   0.00  -0.01
    11   6     0.01   0.06  -0.07     0.13   0.03  -0.12    -0.00  -0.00   0.00
    12   6    -0.00   0.09   0.03     0.17  -0.01   0.01     0.20   0.06   0.01
    13   8    -0.01  -0.02   0.10    -0.05   0.02  -0.07    -0.06  -0.01  -0.00
    14   8    -0.01  -0.03  -0.07    -0.05  -0.05   0.09    -0.06  -0.02   0.01
    15   1    -0.11  -0.01   0.24    -0.22  -0.06   0.01    -0.08  -0.36  -0.07
    16   1    -0.19   0.13  -0.16    -0.13  -0.28  -0.03     0.09   0.31   0.12
    17   1     0.14   0.11  -0.19    -0.11  -0.25  -0.10     0.05   0.32   0.06
    18   1     0.24  -0.02   0.21    -0.16  -0.05   0.01    -0.12  -0.36  -0.13
    19   1     0.01  -0.11   0.04     0.20  -0.03  -0.04     0.04  -0.07  -0.00
    20   1    -0.07   0.02   0.14     0.21  -0.05  -0.04    -0.07   0.07   0.13
    21   1     0.02   0.03   0.02    -0.07  -0.03   0.02    -0.03  -0.05  -0.06
    22   1     0.00  -0.02   0.00    -0.01   0.06  -0.03     0.02  -0.06   0.04
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00   0.01
    24   1    -0.01   0.01  -0.01     0.01   0.05  -0.04     0.03  -0.10   0.06
    25   1     0.01   0.00   0.00    -0.14  -0.03  -0.03    -0.02   0.00   0.01
    26   1     0.02   0.00   0.00    -0.05  -0.04  -0.06    -0.08   0.02   0.02
    27   1     0.01   0.00   0.00     0.13  -0.05  -0.06    -0.12   0.02   0.02
    28   1    -0.01   0.03  -0.09     0.07  -0.04  -0.16    -0.04   0.04   0.01
    29   6    -0.03  -0.03  -0.05     0.02   0.01  -0.02    -0.00  -0.00  -0.00
    30   1     0.16   0.05  -0.33     0.35   0.05   0.22     0.28   0.07   0.00
    31   1    -0.11  -0.16  -0.12    -0.20  -0.20  -0.14     0.05  -0.02  -0.00
    32   1    -0.02  -0.07   0.02     0.07   0.08   0.24    -0.01  -0.10  -0.06
    33   1     0.02  -0.01   0.07    -0.02  -0.00   0.14     0.10   0.03   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    802.7577               823.2517               834.4854
 Red. masses --      2.3022                 3.8681                 2.8874
 Frc consts  --      0.8741                 1.5446                 1.1847
 IR Inten    --      7.5036                 7.1178                 1.5445
 RamAct Fr= 1--     34.9611                 1.6284                 4.1027
  Dep-P Fr= 1--      0.0569                 0.1172                 0.2474
  Dep-U Fr= 1--      0.1077                 0.2098                 0.3967
 Alpha2 Fr= 1--      0.6793                 0.0273                 0.0490
 Beta2  Fr= 1--      0.6278                 0.0569                 0.2713
 AlphaG Fr= 1--      0.2819                 0.0292                 0.0356
 Gamma2 Fr= 1--      0.2395                -0.8235                 1.9710
 Delta2 Fr= 1--      0.3808                 0.6107                 0.1905
 Raman1 Fr= 1--     139.845                  6.514                 16.411
 ROA1   Fr= 1--      35.180                -59.513                195.314
 CID1   Fr= 1--       0.252                 -9.137                 11.902
 Raman2 Fr= 1--       7.533                  0.683                  3.255
 ROA2   Fr= 1--       2.702                -24.649                 45.781
 CID2   Fr= 1--       0.359                -36.081                 14.064
 Raman3 Fr= 1--      15.067                  1.366                  6.510
 ROA3   Fr= 1--      35.180                -59.513                195.314
 CID3   Fr= 1--       2.335                -43.557                 30.000
 RC180  Fr= 1--      -0.785                 -0.580                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.07   0.03   0.02     0.02  -0.02   0.02
     2   6     0.03   0.01  -0.00    -0.02  -0.12  -0.03    -0.00   0.07   0.02
     3   6    -0.00  -0.06   0.03     0.06  -0.05   0.01     0.04  -0.01   0.05
     4   6    -0.02   0.06   0.02    -0.04   0.13   0.06    -0.04  -0.05  -0.02
     5   6    -0.00  -0.05  -0.05     0.06  -0.01  -0.09     0.05  -0.00  -0.05
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.05  -0.02  -0.04
     7   6     0.01   0.13   0.04    -0.15   0.06   0.07    -0.10  -0.12  -0.02
     8   6     0.01  -0.00  -0.09    -0.01  -0.01  -0.03    -0.04  -0.04   0.09
     9   6     0.04  -0.12   0.03     0.01  -0.02   0.00    -0.06   0.14  -0.04
    10   6    -0.08   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.08  -0.08    -0.12   0.03   0.10    -0.08   0.13  -0.07
    12   6    -0.08  -0.08  -0.02     0.31   0.06  -0.02    -0.04  -0.08  -0.04
    13   8     0.03   0.00  -0.06    -0.07  -0.05  -0.04     0.02  -0.02  -0.08
    14   8     0.03  -0.03   0.08    -0.07  -0.03   0.04     0.03  -0.05   0.11
    15   1    -0.03   0.33   0.15     0.11   0.15   0.08     0.00  -0.11  -0.01
    16   1     0.04   0.22   0.12     0.14  -0.19  -0.10     0.09   0.07   0.04
    17   1     0.06   0.30   0.09     0.14  -0.15  -0.10     0.14   0.24   0.06
    18   1     0.01   0.39   0.12     0.06   0.22   0.02     0.07   0.03  -0.03
    19   1     0.06  -0.05   0.05    -0.20   0.12   0.06    -0.16   0.01  -0.03
    20   1    -0.02   0.19   0.19    -0.09   0.04  -0.02    -0.20  -0.22  -0.16
    21   1     0.07   0.02  -0.07     0.12   0.08   0.01    -0.07  -0.04   0.08
    22   1     0.04  -0.18   0.11     0.01  -0.04   0.03    -0.05   0.26  -0.14
    23   1    -0.01   0.00   0.02    -0.01   0.04   0.00     0.02   0.02  -0.02
    24   1     0.02  -0.15   0.10    -0.00  -0.04   0.04    -0.01   0.15  -0.10
    25   1     0.10   0.01   0.04     0.19   0.03   0.04    -0.06   0.02  -0.03
    26   1    -0.13   0.04   0.07     0.05   0.04   0.07     0.25  -0.02  -0.07
    27   1    -0.23   0.04   0.07    -0.15   0.05   0.07     0.18  -0.00  -0.07
    28   1    -0.01   0.01  -0.11    -0.18   0.18   0.14    -0.14   0.10  -0.10
    29   6     0.03   0.05   0.01    -0.09  -0.05  -0.05     0.01   0.08   0.02
    30   1    -0.05  -0.07   0.19     0.18   0.02   0.16    -0.02  -0.09   0.25
    31   1    -0.11  -0.13  -0.08     0.12   0.01   0.01    -0.03  -0.16  -0.07
    32   1     0.05   0.03   0.16    -0.14  -0.26  -0.31     0.01  -0.13   0.04
    33   1     0.05   0.06   0.18     0.13   0.02  -0.02     0.23   0.16   0.31
                     31                     32                     33
                      A                      A                      A
 Frequencies --    851.3763               857.2046               872.8283
 Red. masses --      1.2785                 3.4398                 1.9483
 Frc consts  --      0.5460                 1.4892                 0.8745
 IR Inten    --      0.4032                 2.9320                20.7953
 RamAct Fr= 1--      1.0694                14.5094                 5.7696
  Dep-P Fr= 1--      0.7384                 0.1245                 0.0279
  Dep-U Fr= 1--      0.8495                 0.2214                 0.0542
 Alpha2 Fr= 1--      0.0002                 0.2392                 0.1201
 Beta2  Fr= 1--      0.1514                 0.5353                 0.0521
 AlphaG Fr= 1--      0.0056                -0.1609                 0.1010
 Gamma2 Fr= 1--      0.1763                 0.8054                -0.7984
 Delta2 Fr= 1--      0.1248                -0.4944                -0.2171
 Raman1 Fr= 1--       4.277                 58.038                 23.078
 ROA1   Fr= 1--      20.915                 61.501                -83.591
 CID1   Fr= 1--       4.890                  1.060                 -3.622
 Raman2 Fr= 1--       1.817                  6.424                  0.625
 ROA2   Fr= 1--       3.232                 23.286                -17.424
 CID2   Fr= 1--       1.779                  3.625                -27.859
 Raman3 Fr= 1--       3.634                 12.847                  1.251
 ROA3   Fr= 1--      20.915                 61.501                -83.591
 CID3   Fr= 1--       5.756                  4.787                -66.825
 RC180  Fr= 1--       0.699                 -0.557                 -0.892
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.07  -0.15    -0.01  -0.07  -0.03
     2   6     0.00   0.01   0.00    -0.03   0.03   0.01     0.02   0.12   0.04
     3   6     0.00   0.06   0.03    -0.05   0.08  -0.16    -0.02  -0.07  -0.04
     4   6     0.00   0.01   0.00     0.04  -0.01  -0.01     0.02   0.11   0.04
     5   6    -0.01  -0.07  -0.03    -0.03  -0.07   0.16    -0.03  -0.06  -0.00
     6   6    -0.01  -0.07  -0.04     0.04  -0.08   0.16    -0.02  -0.06  -0.01
     7   6     0.00  -0.01   0.01     0.14   0.00  -0.06     0.05  -0.05  -0.05
     8   6    -0.00  -0.00  -0.00     0.03   0.03  -0.01    -0.01  -0.03   0.03
     9   6    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.03   0.06  -0.02
    10   6    -0.00  -0.00  -0.00    -0.06   0.02   0.01     0.03  -0.01   0.02
    11   6     0.02  -0.02   0.01    -0.14   0.10   0.03     0.03  -0.03   0.05
    12   6    -0.00   0.01   0.00     0.06  -0.03  -0.03     0.07   0.02   0.01
    13   8    -0.00   0.00   0.01    -0.00  -0.03  -0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.01  -0.02    -0.00  -0.04   0.07    -0.02   0.01  -0.03
    15   1    -0.05  -0.45  -0.15     0.13  -0.14  -0.17     0.04   0.44   0.15
    16   1    -0.04  -0.45  -0.15    -0.17  -0.03  -0.13     0.02   0.43   0.14
    17   1     0.04   0.48   0.15    -0.17   0.13   0.17    -0.02   0.35   0.12
    18   1     0.02   0.47   0.16     0.15  -0.00   0.12    -0.01   0.33   0.14
    19   1    -0.01   0.04   0.01     0.22  -0.12  -0.04     0.05  -0.13  -0.05
    20   1     0.01  -0.02  -0.03     0.15   0.07   0.09    -0.08  -0.08   0.00
    21   1     0.02   0.02   0.00    -0.06  -0.04  -0.04    -0.13  -0.10  -0.00
    22   1    -0.00   0.01  -0.00     0.02  -0.11   0.04    -0.02   0.13  -0.07
    23   1    -0.00   0.02  -0.00    -0.01  -0.05   0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01    -0.01  -0.01  -0.00     0.00   0.06  -0.05
    25   1     0.01   0.00   0.00    -0.13  -0.04  -0.02    -0.16   0.00  -0.04
    26   1    -0.01   0.00   0.00    -0.16  -0.02  -0.03     0.10  -0.03  -0.07
    27   1    -0.01   0.00   0.01     0.08  -0.04  -0.03     0.14  -0.01  -0.08
    28   1     0.03  -0.04   0.01    -0.19   0.18   0.05     0.06  -0.00   0.07
    29   6     0.00  -0.01  -0.00    -0.06   0.03  -0.00    -0.03  -0.06  -0.03
    30   1    -0.01   0.01  -0.04     0.01  -0.05   0.19     0.03   0.03  -0.04
    31   1    -0.01   0.03   0.01     0.11  -0.05   0.00     0.01   0.07   0.02
    32   1     0.01   0.04   0.01    -0.11  -0.27  -0.25    -0.03   0.03  -0.06
    33   1    -0.05  -0.03  -0.05     0.25   0.13   0.16    -0.12  -0.09  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.0638               936.4969               955.6550
 Red. masses --      1.5004                 1.1980                 1.7201
 Frc consts  --      0.7114                 0.6190                 0.9256
 IR Inten    --      1.3825                 1.9276                 0.3947
 RamAct Fr= 1--      3.0079                 1.1958                 5.5959
  Dep-P Fr= 1--      0.7397                 0.4689                 0.7288
  Dep-U Fr= 1--      0.8504                 0.6384                 0.8431
 Alpha2 Fr= 1--      0.0005                 0.0068                 0.0020
 Beta2  Fr= 1--      0.4263                 0.1272                 0.7863
 AlphaG Fr= 1--      0.0035                -0.0261                -0.0234
 Gamma2 Fr= 1--      1.0960                 0.2708                 0.6835
 Delta2 Fr= 1--      0.3033                 0.6587                -0.5304
 Raman1 Fr= 1--      12.032                  4.783                 22.384
 ROA1   Fr= 1--     114.923                 47.081                 48.639
 CID1   Fr= 1--       9.552                  9.843                  2.173
 Raman2 Fr= 1--       5.116                  1.527                  9.436
 ROA2   Fr= 1--      23.878                  1.230                 20.646
 CID2   Fr= 1--       4.668                  0.806                  2.188
 Raman3 Fr= 1--      10.231                  3.054                 18.872
 ROA3   Fr= 1--     114.923                 47.081                 48.639
 CID3   Fr= 1--      11.233                 15.417                  2.577
 RC180  Fr= 1--       0.701                  0.277                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.04    -0.00   0.00  -0.01    -0.00   0.00   0.01
     2   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.02   0.00   0.01
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.03   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.01  -0.07  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.08   0.00
     7   6     0.06  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.11  -0.02
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.08   0.09   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.06  -0.03   0.04
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.07   0.08  -0.01
    11   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.02   0.06  -0.03    -0.00  -0.00  -0.01    -0.01  -0.04  -0.01
    16   1    -0.09   0.12   0.05    -0.02   0.04   0.01     0.02   0.12   0.06
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.08   0.47   0.14
    18   1     0.02  -0.00  -0.03    -0.00  -0.01   0.00    -0.03  -0.41  -0.18
    19   1    -0.10   0.49   0.11     0.03   0.02   0.01    -0.19  -0.01  -0.05
    20   1     0.20  -0.25  -0.41     0.05   0.02   0.01    -0.03  -0.15  -0.15
    21   1     0.14   0.27   0.03     0.25  -0.23   0.07     0.15   0.09   0.03
    22   1     0.01   0.13   0.10    -0.04   0.39  -0.29     0.03  -0.24   0.06
    23   1    -0.03   0.35  -0.04     0.25  -0.35   0.10    -0.03  -0.10   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.10    -0.08   0.13  -0.07
    25   1     0.11   0.01   0.03     0.44  -0.14   0.06    -0.01  -0.11   0.01
    26   1    -0.05   0.02   0.04    -0.31   0.01   0.16    -0.44  -0.02   0.04
    27   1    -0.15   0.01   0.07    -0.01  -0.09   0.16     0.16  -0.11   0.04
    28   1    -0.02   0.00  -0.01    -0.00  -0.00   0.00     0.02   0.02   0.02
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    31   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    32   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.01
    33   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.9428               971.9055               974.3107
 Red. masses --      1.5107                 1.4388                 1.4561
 Frc consts  --      0.8219                 0.8008                 0.8144
 IR Inten    --      0.0411                 0.0452                 0.0419
 RamAct Fr= 1--      1.3775                 1.5110                 1.1580
  Dep-P Fr= 1--      0.7095                 0.5710                 0.7495
  Dep-U Fr= 1--      0.8301                 0.7269                 0.8568
 Alpha2 Fr= 1--      0.0010                 0.0051                 0.0000
 Beta2  Fr= 1--      0.1906                 0.1831                 0.1654
 AlphaG Fr= 1--      0.0078                -0.0207                 0.0005
 Gamma2 Fr= 1--      1.0195                 0.8312                -0.2534
 Delta2 Fr= 1--      0.3106                -0.1653                 0.7409
 Raman1 Fr= 1--       5.510                  6.044                  4.632
 ROA1   Fr= 1--     107.812                 74.508                 -0.614
 CID1   Fr= 1--      19.567                 12.328                 -0.133
 Raman2 Fr= 1--       2.287                  2.197                  1.984
 ROA2   Fr= 1--      21.984                 21.271                -12.007
 CID2   Fr= 1--       9.613                  9.683                 -6.051
 Raman3 Fr= 1--       4.574                  4.393                  3.969
 ROA3   Fr= 1--     107.812                 74.508                 -0.614
 CID3   Fr= 1--      23.572                 16.959                 -0.155
 RC180  Fr= 1--       0.660                  0.454                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.00  -0.05  -0.01    -0.01  -0.10  -0.05
     2   6    -0.01   0.03   0.01    -0.01   0.01   0.00     0.00   0.03   0.01
     3   6     0.00  -0.05  -0.01     0.01   0.04   0.02     0.01   0.10   0.03
     4   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.09   0.02     0.01   0.01  -0.01     0.00   0.01   0.01
     6   6    -0.01  -0.10  -0.05     0.00  -0.00  -0.00     0.00  -0.02  -0.00
     7   6    -0.03  -0.08  -0.02    -0.02   0.00  -0.01     0.00  -0.05  -0.00
     8   6     0.05   0.05   0.01    -0.06   0.06  -0.02     0.06  -0.01   0.01
     9   6     0.03  -0.02   0.02    -0.03  -0.11  -0.01     0.02   0.05   0.01
    10   6    -0.04   0.06   0.00     0.08   0.07   0.03    -0.06   0.00  -0.01
    11   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.19  -0.06     0.03   0.25   0.09     0.05   0.59   0.19
    16   1     0.03   0.22   0.09    -0.00  -0.26  -0.09    -0.05  -0.56  -0.21
    17   1    -0.01  -0.51  -0.18     0.01  -0.02  -0.01    -0.00  -0.10  -0.03
    18   1     0.05   0.56   0.18     0.01   0.02   0.00     0.02   0.11   0.04
    19   1    -0.13  -0.03  -0.04    -0.05  -0.01  -0.01    -0.05  -0.01  -0.01
    20   1    -0.05  -0.12  -0.10    -0.04  -0.01  -0.01    -0.03  -0.09  -0.08
    21   1     0.09   0.05   0.02    -0.22   0.17  -0.06     0.16  -0.07   0.04
    22   1     0.02  -0.12   0.03     0.02   0.17   0.07    -0.01  -0.10  -0.03
    23   1    -0.01  -0.07   0.01     0.07   0.14   0.03    -0.02  -0.09  -0.01
    24   1    -0.04   0.07  -0.04     0.19  -0.39   0.24    -0.09   0.21  -0.13
    25   1    -0.03  -0.08   0.00    -0.14  -0.13  -0.04     0.05   0.01   0.02
    26   1    -0.30  -0.02   0.01    -0.21  -0.09  -0.11    -0.08   0.03   0.05
    27   1     0.16  -0.08   0.02     0.53  -0.15  -0.08    -0.15   0.02   0.05
    28   1    -0.01   0.00  -0.01    -0.01  -0.02  -0.01    -0.05  -0.05  -0.03
    29   6     0.00   0.01   0.00     0.01   0.01   0.01     0.02   0.02   0.01
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    31   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
    32   1     0.00  -0.01   0.01     0.01   0.00   0.01     0.02   0.01   0.04
    33   1     0.02   0.01   0.02     0.01   0.01   0.02     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.8744              1044.7970              1059.9139
 Red. masses --      1.9411                 2.8670                 1.7423
 Frc consts  --      1.1479                 1.8439                 1.1532
 IR Inten    --     26.5497                17.1245                64.8160
 RamAct Fr= 1--      9.9352                 0.4702                 4.7063
  Dep-P Fr= 1--      0.3597                 0.1593                 0.2363
  Dep-U Fr= 1--      0.5291                 0.2748                 0.3823
 Alpha2 Fr= 1--      0.0845                 0.0071                 0.0579
 Beta2  Fr= 1--      0.8761                 0.0215                 0.2998
 AlphaG Fr= 1--      0.1533                 0.0073                 0.0567
 Gamma2 Fr= 1--      0.0329                 0.0080                -0.9560
 Delta2 Fr= 1--     -0.7591                -0.2092                -1.3188
 Raman1 Fr= 1--      39.741                  1.881                 18.825
 ROA1   Fr= 1--     -21.133                 -5.925               -133.976
 CID1   Fr= 1--      -0.532                 -3.150                 -7.117
 Raman2 Fr= 1--      10.513                  0.258                  3.598
 ROA2   Fr= 1--       6.863                  1.867                -12.393
 CID2   Fr= 1--       0.653                  7.223                 -3.444
 Raman3 Fr= 1--      21.027                  0.517                  7.196
 ROA3   Fr= 1--     -21.133                 -5.925               -133.976
 CID3   Fr= 1--      -1.005                -11.464                -18.617
 RC180  Fr= 1--       0.058                 -0.450                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.04    -0.02  -0.07   0.20     0.03  -0.00   0.01
     2   6    -0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01  -0.00   0.01
     3   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     4   6     0.05  -0.03  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6    -0.00   0.02   0.02    -0.01  -0.06   0.17    -0.00  -0.02   0.05
     6   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     7   6     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.00  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.04     0.00  -0.04   0.10
    15   1    -0.09   0.06   0.05     0.25  -0.12   0.31     0.17  -0.05   0.06
    16   1    -0.02  -0.15  -0.01     0.19   0.08  -0.33     0.10   0.08  -0.15
    17   1    -0.03  -0.09  -0.03     0.27  -0.12   0.28     0.11  -0.04   0.09
    18   1    -0.01   0.04  -0.02     0.19   0.11  -0.37     0.11   0.01  -0.09
    19   1     0.03   0.02   0.01    -0.07  -0.02  -0.01    -0.05  -0.01  -0.01
    20   1    -0.01  -0.02  -0.01    -0.02  -0.00   0.00     0.01   0.01   0.00
    21   1     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    22   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.02   0.00
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    25   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    26   1    -0.01   0.00   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    27   1    -0.02   0.00   0.01     0.02  -0.00  -0.01     0.02  -0.00  -0.01
    28   1     0.34   0.51   0.20     0.04  -0.11  -0.01    -0.31   0.23  -0.00
    29   6    -0.09  -0.11  -0.03    -0.04   0.03  -0.01     0.11  -0.06   0.03
    30   1     0.03  -0.02  -0.04    -0.01  -0.00   0.08     0.01   0.00  -0.20
    31   1     0.19   0.24   0.13     0.03  -0.12  -0.05    -0.14   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.07  -0.18  -0.10     0.18   0.41   0.31
    33   1    -0.08  -0.12  -0.38     0.16   0.10   0.16    -0.37  -0.22  -0.30
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.3827              1111.9344              1138.9599
 Red. masses --      1.9097                 1.7666                 2.2052
 Frc consts  --      1.3353                 1.2869                 1.6855
 IR Inten    --      7.3777                 1.5399                 0.3761
 RamAct Fr= 1--      3.3619                 5.9914                26.0279
  Dep-P Fr= 1--      0.6816                 0.2255                 0.3634
  Dep-U Fr= 1--      0.8106                 0.3681                 0.5330
 Alpha2 Fr= 1--      0.0041                 0.0760                 0.2187
 Beta2  Fr= 1--      0.4542                 0.3675                 2.3123
 AlphaG Fr= 1--     -0.0253                -0.0702                 0.0808
 Gamma2 Fr= 1--      0.6029                -2.5276                -2.7715
 Delta2 Fr= 1--      2.8583                -1.3736                -1.7170
 Raman1 Fr= 1--      13.448                 23.965                104.112
 ROA1   Fr= 1--     149.340               -286.600               -321.012
 CID1   Fr= 1--      11.105                -11.959                 -3.083
 Raman2 Fr= 1--       5.451                  4.410                 27.748
 ROA2   Fr= 1--      -8.398                -49.673                -52.781
 CID2   Fr= 1--      -1.541                -11.263                 -1.902
 Raman3 Fr= 1--      10.901                  8.821                 55.496
 ROA3   Fr= 1--     149.340               -286.600               -321.012
 CID3   Fr= 1--      13.700                -32.492                 -5.784
 RC180  Fr= 1--       0.621                 -0.264                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01  -0.01   0.03     0.01   0.02  -0.00
     2   6     0.01  -0.01   0.07    -0.01  -0.00  -0.04    -0.03  -0.06   0.00
     3   6    -0.03   0.02  -0.02     0.02   0.01  -0.01    -0.01   0.00   0.00
     4   6     0.02  -0.05   0.05    -0.01  -0.03  -0.01     0.02  -0.00   0.01
     5   6     0.03   0.03  -0.05    -0.02   0.01   0.00     0.03   0.00  -0.02
     6   6    -0.04   0.02  -0.04     0.00  -0.01   0.03    -0.02   0.02  -0.01
     7   6     0.01  -0.00   0.06    -0.02   0.02  -0.08     0.02   0.10   0.05
     8   6    -0.03   0.01  -0.07     0.05  -0.02   0.08     0.18  -0.15  -0.04
     9   6     0.01   0.00   0.05    -0.02   0.00  -0.06    -0.07   0.05  -0.05
    10   6     0.02  -0.01   0.03    -0.03   0.01  -0.02    -0.08   0.07   0.09
    11   6     0.05   0.07   0.15     0.03   0.07   0.15    -0.01  -0.01  -0.02
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.01  -0.00
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    14   8     0.01  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    15   1     0.14   0.01  -0.01     0.06  -0.04   0.04     0.12  -0.08   0.02
    16   1    -0.22  -0.05   0.08     0.13  -0.00  -0.09    -0.12  -0.02   0.07
    17   1     0.18  -0.05  -0.01    -0.13  -0.02  -0.05     0.14  -0.02   0.02
    18   1    -0.21  -0.00   0.07    -0.03  -0.02   0.05    -0.11  -0.05   0.03
    19   1    -0.36  -0.03  -0.04     0.39  -0.01   0.03    -0.12  -0.09   0.01
    20   1     0.36   0.12  -0.00    -0.42  -0.10   0.03    -0.19  -0.01   0.01
    21   1    -0.19  -0.17  -0.11     0.21   0.14   0.13     0.21  -0.48  -0.04
    22   1    -0.01  -0.07  -0.06     0.01   0.10   0.07    -0.04   0.29  -0.11
    23   1     0.01  -0.20   0.03    -0.01   0.23  -0.04     0.07   0.13  -0.02
    24   1    -0.03   0.12  -0.10     0.04  -0.14   0.12     0.11  -0.08  -0.01
    25   1    -0.10   0.02  -0.02     0.09  -0.02   0.02    -0.43  -0.09  -0.03
    26   1     0.10  -0.02  -0.06    -0.12   0.02   0.06    -0.23  -0.08  -0.12
    27   1     0.07   0.01  -0.06    -0.07  -0.02   0.06     0.23  -0.04  -0.08
    28   1    -0.16   0.07   0.10    -0.13   0.04   0.11    -0.01  -0.00  -0.02
    29   6    -0.00  -0.02  -0.12     0.02  -0.02  -0.11    -0.00   0.01   0.02
    30   1    -0.00  -0.01   0.08     0.00  -0.01   0.11    -0.00   0.01  -0.05
    31   1    -0.27  -0.24  -0.24    -0.28  -0.21  -0.23     0.04   0.03   0.03
    32   1     0.05   0.01   0.18     0.08   0.06   0.24    -0.02  -0.02  -0.04
    33   1    -0.10  -0.04   0.09    -0.14  -0.06   0.08     0.03   0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1152.6767              1186.8430              1193.8634
 Red. masses --      1.3963                 2.0797                 1.7720
 Frc consts  --      1.0931                 1.7260                 1.4881
 IR Inten    --      0.9080               139.9553                 9.5501
 RamAct Fr= 1--      0.3393                 9.5624                 3.1822
  Dep-P Fr= 1--      0.7095                 0.3001                 0.5187
  Dep-U Fr= 1--      0.8301                 0.4616                 0.6831
 Alpha2 Fr= 1--      0.0002                 0.0981                 0.0144
 Beta2  Fr= 1--      0.0469                 0.7357                 0.3623
 AlphaG Fr= 1--      0.0014                -0.0562                 0.0008
 Gamma2 Fr= 1--      0.6712                 1.1870                -1.8718
 Delta2 Fr= 1--      0.3179                 0.3441                 0.8210
 Raman1 Fr= 1--       1.357                 38.250                 12.729
 ROA1   Fr= 1--      74.613                124.967               -153.417
 CID1   Fr= 1--      54.977                  3.267                -12.053
 Raman2 Fr= 1--       0.563                  8.828                  4.347
 ROA2   Fr= 1--      13.567                 25.736                -51.490
 CID2   Fr= 1--      24.086                  2.915                -11.844
 Raman3 Fr= 1--       1.127                 17.656                  8.695
 ROA3   Fr= 1--      74.613                124.967               -153.417
 CID3   Fr= 1--      66.233                  7.078                -17.644
 RC180  Fr= 1--       0.660                 -0.077                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00   0.01     0.04   0.01  -0.03    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.01  -0.00   0.01
     3   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.00  -0.00  -0.00
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.02     0.01  -0.00   0.00
     5   6    -0.07   0.00   0.02     0.01  -0.01   0.03    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.01     0.02  -0.01   0.02     0.00   0.00  -0.01
     7   6     0.01   0.01   0.06    -0.01   0.00   0.00    -0.02  -0.04  -0.05
     8   6     0.02  -0.03  -0.05     0.01   0.00  -0.00     0.12   0.15  -0.02
     9   6    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.10  -0.06   0.04
    10   6    -0.01   0.01   0.03    -0.00  -0.00   0.01    -0.05  -0.10   0.05
    11   6     0.00   0.02   0.04    -0.03   0.12  -0.07     0.00  -0.00   0.00
    12   6     0.00  -0.01   0.01     0.04  -0.10   0.10    -0.00   0.00  -0.00
    13   8    -0.00   0.00   0.01    -0.01   0.04   0.05     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.02     0.00  -0.00  -0.14    -0.00   0.00   0.01
    15   1    -0.42   0.07  -0.13     0.11  -0.01  -0.00    -0.02   0.02  -0.01
    16   1     0.37   0.04  -0.19    -0.06  -0.03  -0.00    -0.02  -0.00   0.01
    17   1    -0.38   0.05  -0.10     0.25  -0.08   0.12    -0.02   0.01  -0.01
    18   1     0.45   0.04  -0.25    -0.03  -0.02   0.05     0.02   0.01  -0.02
    19   1    -0.18   0.03   0.01    -0.05  -0.01  -0.01    -0.19  -0.17  -0.10
    20   1     0.13   0.02  -0.04    -0.02  -0.00  -0.00     0.04   0.01  -0.01
    21   1    -0.03  -0.14  -0.07     0.02   0.01  -0.00     0.28   0.33   0.03
    22   1    -0.01   0.02  -0.06    -0.00   0.02  -0.01    -0.05   0.33  -0.11
    23   1     0.02  -0.09   0.02     0.01  -0.01   0.01     0.26  -0.15   0.11
    24   1     0.01   0.05  -0.06     0.01  -0.01  -0.00     0.23  -0.25   0.03
    25   1    -0.14  -0.01  -0.01    -0.02   0.01  -0.00    -0.23   0.22  -0.00
    26   1    -0.00  -0.03  -0.06     0.01  -0.00  -0.01     0.34   0.01  -0.03
    27   1     0.09  -0.00  -0.05    -0.00   0.01  -0.01    -0.26   0.15  -0.10
    28   1     0.02  -0.00   0.03     0.20   0.14  -0.01    -0.02  -0.00  -0.00
    29   6     0.01  -0.01  -0.03     0.03  -0.07   0.01    -0.00   0.00   0.00
    30   1     0.00  -0.01   0.11     0.02  -0.11   0.75    -0.00   0.00  -0.03
    31   1    -0.07  -0.03  -0.05    -0.02   0.19   0.09     0.00  -0.01  -0.00
    32   1     0.03   0.03   0.08     0.05   0.22   0.02    -0.00  -0.01  -0.00
    33   1    -0.05  -0.03   0.01    -0.14  -0.12  -0.19     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1197              1221.2546              1237.0447
 Red. masses --      1.2992                 2.1025                 2.3291
 Frc consts  --      1.1265                 1.8475                 2.0999
 IR Inten    --      4.1673                 9.8177                 1.9744
 RamAct Fr= 1--     62.6060                33.0342                37.0973
  Dep-P Fr= 1--      0.1071                 0.1814                 0.1454
  Dep-U Fr= 1--      0.1934                 0.3071                 0.2539
 Alpha2 Fr= 1--      1.0773                 0.4711                 0.5802
 Beta2  Fr= 1--      2.0185                 1.6908                 1.5699
 AlphaG Fr= 1--      0.3446                 0.1791                 0.0802
 Gamma2 Fr= 1--     -3.6695                -0.0383                 1.3890
 Delta2 Fr= 1--     -0.6992                 0.1800                -0.3119
 Raman1 Fr= 1--     250.424                132.137                148.389
 ROA1   Fr= 1--    -374.644                  2.081                123.364
 CID1   Fr= 1--      -1.496                  0.016                  0.831
 Raman2 Fr= 1--      24.222                 20.289                 18.839
 ROA2   Fr= 1--     -82.473                 -2.360                 35.832
 CID2   Fr= 1--      -3.405                 -0.116                  1.902
 Raman3 Fr= 1--      48.444                 40.579                 37.678
 ROA3   Fr= 1--    -374.644                  2.081                123.364
 CID3   Fr= 1--      -7.734                  0.051                  3.274
 RC180  Fr= 1--      -0.613                 -0.386                 -0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.03     0.04   0.00  -0.01
     2   6     0.05  -0.00  -0.01    -0.03   0.00   0.02     0.28  -0.04  -0.01
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.02  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.01     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.02    -0.08  -0.01   0.05
     6   6    -0.01  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.07
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.05  -0.01   0.01    -0.11   0.02  -0.02     0.01  -0.00  -0.00
    12   6    -0.01   0.01  -0.01     0.01  -0.02   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.38   0.10  -0.19    -0.50   0.08  -0.12    -0.28   0.07  -0.15
    16   1     0.39   0.08  -0.29     0.21   0.02  -0.11    -0.33  -0.02   0.12
    17   1     0.48  -0.11   0.23     0.04   0.00  -0.04    -0.42   0.06  -0.08
    18   1    -0.31  -0.07   0.26    -0.43  -0.03   0.21    -0.14  -0.03   0.12
    19   1    -0.07  -0.00  -0.00     0.01  -0.02  -0.01    -0.51  -0.20  -0.08
    20   1    -0.04  -0.01   0.00     0.06   0.03   0.03    -0.23  -0.01   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00  -0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.02   0.05
    28   1     0.19  -0.05   0.02    -0.47   0.12  -0.05    -0.12   0.03  -0.02
    29   6    -0.02   0.01  -0.02     0.03  -0.02   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.13     0.00  -0.04   0.23    -0.00   0.00  -0.01
    31   1     0.02  -0.05  -0.03    -0.03   0.09   0.06     0.01   0.01   0.01
    32   1    -0.01  -0.05   0.01     0.02   0.08   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.08  -0.05  -0.07     0.01   0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.9938              1297.6698              1318.8742
 Red. masses --      1.5924                 2.0473                 1.3479
 Frc consts  --      1.4636                 2.0313                 1.3813
 IR Inten    --      1.2743                 0.8301                 1.2815
 RamAct Fr= 1--      7.6878                 4.9223                26.2454
  Dep-P Fr= 1--      0.5027                 0.1654                 0.2959
  Dep-U Fr= 1--      0.6691                 0.2838                 0.4567
 Alpha2 Fr= 1--      0.0375                 0.0732                 0.2725
 Beta2  Fr= 1--      0.8573                 0.2328                 1.9976
 AlphaG Fr= 1--     -0.0542                 0.0346                -0.0601
 Gamma2 Fr= 1--     -3.6307                 2.2988                -3.7260
 Delta2 Fr= 1--      0.2146                -0.2682                 0.4664
 Raman1 Fr= 1--      30.751                 19.689                104.982
 ROA1   Fr= 1--    -341.681                212.101               -342.770
 CID1   Fr= 1--     -11.111                 10.772                 -3.265
 Raman2 Fr= 1--      10.287                  2.794                 23.971
 ROA2   Fr= 1--     -88.855                 57.316                -93.155
 CID2   Fr= 1--      -8.637                 20.514                 -3.886
 Raman3 Fr= 1--      20.575                  5.588                 47.941
 ROA3   Fr= 1--    -341.681                212.101               -342.770
 CID3   Fr= 1--     -16.607                 37.957                 -7.150
 RC180  Fr= 1--       0.338                 -0.432                 -0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.04    -0.04   0.02  -0.05     0.02  -0.01   0.01
     2   6    -0.06  -0.00   0.08    -0.00  -0.02   0.04     0.05   0.03  -0.02
     3   6     0.03  -0.00  -0.00     0.02   0.01  -0.05    -0.02   0.00  -0.00
     4   6    -0.04  -0.01   0.03    -0.06  -0.04   0.17    -0.00   0.00  -0.00
     5   6    -0.01   0.01  -0.03    -0.05   0.02  -0.05    -0.00  -0.01   0.02
     6   6     0.01   0.00  -0.02     0.06   0.01  -0.03     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.06     0.00   0.00  -0.00    -0.11  -0.05  -0.03
     8   6     0.01   0.00   0.14     0.00  -0.00  -0.01    -0.05  -0.02  -0.04
     9   6    -0.00  -0.02  -0.09    -0.00   0.00   0.01     0.02  -0.00  -0.01
    10   6    -0.01  -0.00  -0.04     0.00  -0.00   0.00    -0.00   0.02   0.06
    11   6     0.02  -0.00  -0.01     0.16  -0.05  -0.05     0.01  -0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00   0.02   0.04    -0.00   0.00   0.00
    14   8     0.00   0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.02     0.28  -0.05   0.07    -0.00   0.02   0.01
    16   1     0.05   0.01  -0.02     0.28   0.06  -0.23    -0.00   0.01  -0.02
    17   1     0.13  -0.01   0.03    -0.17   0.06  -0.10    -0.10   0.02  -0.02
    18   1     0.20   0.05  -0.15    -0.11  -0.02   0.08    -0.08  -0.00   0.06
    19   1    -0.31  -0.30  -0.14     0.12   0.04   0.02     0.29   0.23   0.07
    20   1     0.47   0.28   0.18    -0.13  -0.06  -0.03     0.45   0.29   0.19
    21   1     0.09  -0.23   0.16    -0.05   0.07  -0.03     0.61  -0.06   0.14
    22   1     0.03   0.06   0.16    -0.01  -0.00  -0.02     0.01  -0.01  -0.01
    23   1    -0.05   0.31  -0.07     0.01  -0.04   0.01    -0.06   0.07  -0.03
    24   1    -0.03  -0.14   0.15     0.01   0.02  -0.02    -0.04   0.02   0.00
    25   1     0.14  -0.01   0.01     0.00   0.00  -0.00    -0.14  -0.02   0.01
    26   1    -0.05   0.05   0.11    -0.00  -0.00  -0.01     0.06  -0.04  -0.11
    27   1    -0.08  -0.04   0.10    -0.00   0.01  -0.01     0.16  -0.00  -0.08
    28   1     0.05   0.00  -0.00    -0.58   0.29  -0.07    -0.06   0.03  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.23     0.00  -0.00   0.02
    31   1     0.02   0.00   0.01     0.18  -0.01   0.07     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.01    -0.08  -0.10  -0.11    -0.00  -0.01  -0.01
    33   1     0.02   0.01   0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0052              1346.0835              1352.6889
 Red. masses --      1.8151                 1.7080                 1.8224
 Frc consts  --      1.9232                 1.8234                 1.9647
 IR Inten    --      4.5809                18.4799                11.9520
 RamAct Fr= 1--      9.3480                 4.4182                 5.0369
  Dep-P Fr= 1--      0.5930                 0.6807                 0.6837
  Dep-U Fr= 1--      0.7445                 0.8100                 0.8122
 Alpha2 Fr= 1--      0.0273                 0.0054                 0.0059
 Beta2  Fr= 1--      1.1600                 0.5965                 0.6818
 AlphaG Fr= 1--      0.1356                 0.0299                 0.0463
 Gamma2 Fr= 1--      0.0617                 3.6027                 3.9874
 Delta2 Fr= 1--     -1.0264                 2.4257                 1.4539
 Raman1 Fr= 1--      37.392                 17.673                 20.147
 ROA1   Fr= 1--     -26.921                423.477                429.313
 CID1   Fr= 1--      -0.720                 23.962                 21.309
 Raman2 Fr= 1--      13.920                  7.157                  8.181
 ROA2   Fr= 1--       9.691                 67.059                 84.066
 CID2   Fr= 1--       0.696                  9.369                 10.275
 Raman3 Fr= 1--      27.840                 14.315                 16.363
 ROA3   Fr= 1--     -26.921                423.477                429.313
 CID3   Fr= 1--      -0.967                 29.583                 26.237
 RC180  Fr= 1--       0.489                  0.620                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.02    -0.03   0.01  -0.01    -0.03   0.01  -0.02
     2   6    -0.01   0.02  -0.05     0.01  -0.03   0.08     0.02  -0.05   0.13
     3   6    -0.04  -0.01   0.03     0.05   0.01  -0.04     0.06   0.01  -0.05
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.03     0.01  -0.00   0.01
     5   6     0.04  -0.01   0.02    -0.06   0.01  -0.02    -0.08   0.02  -0.03
     6   6    -0.04  -0.01   0.03     0.03   0.01  -0.02     0.03   0.01  -0.03
     7   6     0.01  -0.00   0.01    -0.00   0.01  -0.02     0.01   0.03  -0.04
     8   6     0.01   0.01   0.01    -0.02  -0.03  -0.01    -0.03  -0.07  -0.02
     9   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.01   0.03
    10   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.02   0.01
    11   6    -0.01  -0.16  -0.03    -0.04  -0.04  -0.04    -0.01  -0.02   0.02
    12   6    -0.03   0.07  -0.08     0.03  -0.13   0.11    -0.02   0.12  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02     0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.05   0.00
    15   1    -0.05   0.01  -0.02    -0.12   0.02  -0.05    -0.24   0.05  -0.10
    16   1    -0.01   0.01   0.02    -0.17  -0.04   0.11    -0.31  -0.04   0.21
    17   1    -0.01   0.03   0.01     0.19  -0.03   0.08     0.31  -0.07   0.12
    18   1     0.05   0.01  -0.04     0.08   0.01  -0.06     0.19   0.03  -0.14
    19   1    -0.10  -0.02  -0.02     0.14   0.01   0.01     0.14  -0.05  -0.00
    20   1     0.04   0.00  -0.01    -0.09  -0.01   0.02    -0.14  -0.01   0.02
    21   1    -0.05  -0.09  -0.01     0.09   0.19   0.02     0.18   0.41   0.05
    22   1     0.00   0.00   0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.07
    23   1     0.00   0.02  -0.00    -0.02  -0.03   0.01    -0.03  -0.07   0.01
    24   1     0.00  -0.02   0.02    -0.01   0.03  -0.02    -0.01   0.06  -0.04
    25   1     0.01   0.01  -0.00    -0.02  -0.02   0.00    -0.03  -0.06   0.00
    26   1     0.00   0.01   0.02    -0.01  -0.01  -0.03    -0.02  -0.02  -0.05
    27   1    -0.02  -0.00   0.01     0.03  -0.00  -0.01     0.05  -0.01  -0.00
    28   1     0.07   0.70   0.33     0.13   0.64   0.27     0.15  -0.24  -0.04
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.44     0.01  -0.08   0.40
    31   1    -0.01  -0.19  -0.13    -0.04   0.00  -0.05    -0.04  -0.09  -0.03
    32   1     0.04  -0.14   0.13     0.05   0.03   0.12    -0.02  -0.07  -0.08
    33   1     0.01   0.07   0.12     0.02   0.03   0.15    -0.05  -0.01  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1369.4754              1372.5348              1376.9173
 Red. masses --      1.6280                 1.4804                 1.2994
 Frc consts  --      1.7989                 1.6432                 1.4514
 IR Inten    --      3.3975                 1.0416                 1.3827
 RamAct Fr= 1--     15.0711                 3.2541                17.4587
  Dep-P Fr= 1--      0.4385                 0.1653                 0.4359
  Dep-U Fr= 1--      0.6097                 0.2837                 0.6071
 Alpha2 Fr= 1--      0.0967                 0.0484                 0.1132
 Beta2  Fr= 1--      1.5314                 0.1538                 1.7666
 AlphaG Fr= 1--      0.1360                 0.1384                 0.1713
 Gamma2 Fr= 1--      0.8926                 0.8765                 2.9083
 Delta2 Fr= 1--     -2.3635                 0.0227                -0.0860
 Raman1 Fr= 1--      60.284                 13.016                 69.835
 ROA1   Fr= 1--      10.058                 84.871                276.443
 CID1   Fr= 1--       0.167                  6.520                  3.959
 Raman2 Fr= 1--      18.377                  1.846                 21.199
 ROA2   Fr= 1--      40.330                 20.855                 70.487
 CID2   Fr= 1--       2.195                 11.296                  3.325
 Raman3 Fr= 1--      36.753                  3.692                 42.398
 ROA3   Fr= 1--      10.058                 84.871                276.443
 CID3   Fr= 1--       0.274                 22.986                  6.520
 RC180  Fr= 1--       0.219                 -0.433                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.03   0.01  -0.01    -0.05   0.01  -0.02
     2   6     0.03  -0.00   0.03    -0.02  -0.01   0.01    -0.01   0.01  -0.04
     3   6     0.05   0.00  -0.03     0.02   0.00  -0.01    -0.00  -0.00   0.01
     4   6     0.02  -0.02   0.06     0.00  -0.01   0.02     0.02  -0.02   0.06
     5   6    -0.06   0.01  -0.00    -0.02   0.00  -0.01     0.01  -0.01   0.01
     6   6     0.08   0.01  -0.05     0.02   0.00  -0.01     0.04   0.01  -0.03
     7   6    -0.08  -0.05   0.01     0.08   0.01   0.02     0.04   0.03  -0.00
     8   6     0.08   0.07   0.00    -0.12   0.11  -0.03    -0.03  -0.08   0.01
     9   6    -0.02  -0.02  -0.01     0.03   0.00  -0.04     0.01   0.01   0.02
    10   6    -0.01  -0.01  -0.01     0.01  -0.03   0.04     0.01   0.02   0.00
    11   6    -0.07  -0.01  -0.01    -0.02  -0.00  -0.00    -0.06  -0.00  -0.01
    12   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.00   0.02  -0.01
    13   8    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.17  -0.03   0.09     0.06  -0.02   0.02     0.29  -0.07   0.12
    16   1    -0.01  -0.00   0.02     0.01  -0.00   0.00     0.22   0.03  -0.14
    17   1    -0.07   0.01  -0.00     0.02  -0.00   0.01    -0.26   0.06  -0.09
    18   1    -0.19  -0.02   0.15    -0.03  -0.02   0.02    -0.28  -0.05   0.18
    19   1     0.31   0.31   0.11    -0.13  -0.08  -0.03    -0.27  -0.24  -0.09
    20   1     0.06   0.04   0.07    -0.37  -0.24  -0.14     0.09   0.04  -0.03
    21   1    -0.35  -0.41  -0.13     0.52  -0.50   0.13     0.17   0.44   0.08
    22   1     0.00   0.06   0.04     0.02  -0.18   0.13    -0.01   0.01  -0.06
    23   1     0.08   0.08   0.02    -0.05  -0.06  -0.06    -0.05  -0.04   0.00
    24   1     0.04  -0.04  -0.03    -0.02  -0.11   0.17    -0.03   0.06  -0.02
    25   1     0.05   0.07   0.01    -0.02   0.09   0.03    -0.04  -0.08  -0.01
    26   1     0.01   0.03   0.05     0.14  -0.02  -0.05    -0.03  -0.02  -0.03
    27   1    -0.04   0.01  -0.02     0.06   0.05  -0.12     0.01  -0.02   0.05
    28   1     0.49  -0.04   0.10     0.13  -0.01   0.02     0.43  -0.02   0.09
    29   6     0.02   0.02  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.02
    30   1     0.00  -0.02   0.10     0.00  -0.00   0.02     0.00  -0.01   0.03
    31   1    -0.07  -0.04  -0.05    -0.02  -0.01  -0.01    -0.04   0.01  -0.02
    32   1     0.02  -0.02   0.02     0.01  -0.00   0.00     0.03   0.00   0.06
    33   1    -0.06  -0.01   0.03    -0.01  -0.00   0.01    -0.03  -0.00   0.07
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.5653              1417.9376              1423.1953
 Red. masses --      1.2572                 1.2303                 1.2351
 Frc consts  --      1.4592                 1.4574                 1.4739
 IR Inten    --      5.4133                 3.6217                 6.4352
 RamAct Fr= 1--      0.1006                 1.5375                 1.8504
  Dep-P Fr= 1--      0.5502                 0.5684                 0.4515
  Dep-U Fr= 1--      0.7099                 0.7248                 0.6221
 Alpha2 Fr= 1--      0.0004                 0.0053                 0.0113
 Beta2  Fr= 1--      0.0119                 0.1857                 0.1919
 AlphaG Fr= 1--      0.0020                -0.0089                 0.0054
 Gamma2 Fr= 1--     -0.0972                -0.1010                -0.0031
 Delta2 Fr= 1--     -0.0086                 0.0171                -0.1640
 Raman1 Fr= 1--       0.402                  6.150                  7.402
 ROA1   Fr= 1--      -9.610                 -9.152                 -5.548
 CID1   Fr= 1--     -23.879                 -1.488                 -0.750
 Raman2 Fr= 1--       0.143                  2.229                  2.302
 ROA2   Fr= 1--      -2.265                 -2.561                  1.237
 CID2   Fr= 1--     -15.859                 -1.149                  0.537
 Raman3 Fr= 1--       0.286                  4.458                  4.605
 ROA3   Fr= 1--      -9.610                 -9.152                 -5.548
 CID3   Fr= 1--     -33.638                 -2.053                 -1.205
 RC180  Fr= 1--       0.420                  0.450                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.08  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02  -0.00    -0.00  -0.00   0.00    -0.09   0.00   0.01
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.05  -0.01   0.02     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.01   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.03   0.02   0.00    -0.07   0.00  -0.02
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.01    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.01  -0.00
    22   1    -0.06  -0.33   0.16     0.00   0.01  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34   0.00    -0.00   0.01   0.00    -0.15   0.40   0.02
    24   1     0.20  -0.23   0.20    -0.00   0.00  -0.01    -0.19   0.26  -0.27
    25   1     0.41  -0.09   0.15     0.00   0.00   0.00     0.36  -0.02   0.14
    26   1     0.39   0.12  -0.10    -0.00  -0.00  -0.00     0.35   0.09  -0.09
    27   1     0.36  -0.21  -0.09     0.00   0.00  -0.00     0.32  -0.15  -0.14
    28   1     0.01   0.00   0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.02   0.08     0.00   0.00  -0.00
    31   1     0.00   0.01   0.00     0.33   0.43   0.18    -0.00  -0.01  -0.00
    32   1     0.00   0.00   0.01     0.06   0.35   0.43    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.01     0.37   0.10   0.43    -0.00  -0.00  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.2610              1485.6214              1490.3292
 Red. masses --      2.4503                 1.0755                 1.0468
 Frc consts  --      3.0785                 1.3985                 1.3698
 IR Inten    --      5.9070                 0.4703                 1.8476
 RamAct Fr= 1--      0.5252                 1.7561                11.9096
  Dep-P Fr= 1--      0.5124                 0.6212                 0.7233
  Dep-U Fr= 1--      0.6776                 0.7664                 0.8394
 Alpha2 Fr= 1--      0.0024                 0.0041                 0.0055
 Beta2  Fr= 1--      0.0593                 0.2243                 1.6663
 AlphaG Fr= 1--      0.0200                 0.0396                -0.0109
 Gamma2 Fr= 1--     -2.7188                 1.4253                 2.4915
 Delta2 Fr= 1--      1.3930                -0.2465                -0.5588
 Raman1 Fr= 1--       2.101                  7.025                 47.638
 ROA1   Fr= 1--    -216.431                128.938                221.306
 CID1   Fr= 1--    -103.013                 18.355                  4.646
 Raman2 Fr= 1--       0.712                  2.692                 19.995
 ROA2   Fr= 1--     -76.396                 36.179                 64.268
 CID2   Fr= 1--    -107.325                 13.441                  3.214
 Raman3 Fr= 1--       1.424                  5.383                 39.990
 ROA3   Fr= 1--    -216.431                128.938                221.306
 CID3   Fr= 1--    -152.027                 23.951                  5.534
 RC180  Fr= 1--       0.355                  0.533                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.01   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04    -0.05   0.03   0.02     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00     0.02  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00    -0.01  -0.03  -0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.28   0.10  -0.22    -0.02   0.00  -0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.30     0.00   0.00  -0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02     0.25  -0.37   0.08    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09     0.20  -0.06  -0.39    -0.09   0.03   0.18
    21   1    -0.01  -0.03  -0.01    -0.03  -0.01  -0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03     0.02   0.13  -0.21    -0.07  -0.26  -0.35
    23   1    -0.02   0.01  -0.00    -0.32  -0.16  -0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.00    -0.11  -0.07   0.24     0.33  -0.11  -0.12
    25   1     0.02   0.04   0.01     0.02   0.40   0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00    -0.10   0.08   0.28     0.12   0.24   0.42
    27   1    -0.01   0.03  -0.05     0.19  -0.04  -0.17     0.16  -0.29   0.25
    28   1     0.39  -0.04   0.03     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    31   1    -0.06  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7550              1497.7360              1501.8444
 Red. masses --      1.0458                 1.0766                 1.0532
 Frc consts  --      1.3785                 1.4228                 1.3996
 IR Inten    --      5.5473                 3.0687                11.4593
 RamAct Fr= 1--      6.0895                 4.1996                 7.1459
  Dep-P Fr= 1--      0.6414                 0.7072                 0.6092
  Dep-U Fr= 1--      0.7815                 0.8285                 0.7571
 Alpha2 Fr= 1--      0.0119                 0.0031                 0.0185
 Beta2  Fr= 1--      0.7932                 0.5799                 0.9017
 AlphaG Fr= 1--      0.0354                 0.0079                 0.1176
 Gamma2 Fr= 1--     -0.0992                -0.1468                 2.0927
 Delta2 Fr= 1--     -1.2343                -1.1392                 2.1128
 Raman1 Fr= 1--      24.358                 16.798                 28.584
 ROA1   Fr= 1--     -49.023                -50.550                268.506
 CID1   Fr= 1--      -2.013                 -3.009                  9.394
 Raman2 Fr= 1--       9.518                  6.959                 10.821
 ROA2   Fr= 1--       7.493                  5.590                 33.323
 CID2   Fr= 1--       0.787                  0.803                  3.080
 Raman3 Fr= 1--      19.036                 13.917                 21.641
 ROA3   Fr= 1--     -49.023                -50.550                268.506
 CID3   Fr= 1--      -2.575                 -3.632                 12.407
 RC180  Fr= 1--       0.563                  0.657                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.04  -0.03  -0.03    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00  -0.00   0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.02   0.00  -0.01     0.03  -0.00   0.02    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.00
    17   1    -0.03   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
    18   1    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.01   0.01  -0.00    -0.25   0.38  -0.08     0.01  -0.00   0.00
    20   1    -0.00   0.00   0.02    -0.15   0.10   0.43    -0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.00   0.00   0.00
    22   1     0.00   0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.01   0.00
    23   1    -0.01  -0.01  -0.00    -0.31  -0.22  -0.09     0.01   0.01   0.00
    24   1    -0.01  -0.00   0.01    -0.12  -0.09   0.29     0.01   0.00  -0.01
    25   1     0.01   0.01   0.00     0.16   0.24   0.06     0.00   0.01   0.00
    26   1    -0.01  -0.00  -0.00    -0.19  -0.09  -0.02    -0.01  -0.00   0.00
    27   1     0.00   0.01  -0.01     0.04   0.16  -0.30     0.00   0.00  -0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.02
    31   1     0.06  -0.46  -0.13     0.01   0.02   0.01     0.62  -0.21   0.02
    32   1     0.01   0.50   0.06     0.00  -0.02   0.01     0.06  -0.34   0.53
    33   1     0.51   0.13  -0.47    -0.02  -0.01   0.01    -0.25  -0.07  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4219              1511.4163              1551.5079
 Red. masses --      1.0527                 1.0509                 2.4430
 Frc consts  --      1.4038                 1.4144                 3.4648
 IR Inten    --      4.7457                12.3174                27.6026
 RamAct Fr= 1--      8.3048                 1.4603                 0.3629
  Dep-P Fr= 1--      0.7393                 0.4460                 0.7416
  Dep-U Fr= 1--      0.8501                 0.6168                 0.8516
 Alpha2 Fr= 1--      0.0015                 0.0091                 0.0001
 Beta2  Fr= 1--      1.1766                 0.1501                 0.0515
 AlphaG Fr= 1--      0.0120                -0.0020                 0.0005
 Gamma2 Fr= 1--     -0.5220                -1.7642                 0.6342
 Delta2 Fr= 1--      0.3621                -0.4417                 0.3135
 Raman1 Fr= 1--      33.219                  5.841                  1.452
 ROA1   Fr= 1--     -38.528               -183.503                 70.915
 CID1   Fr= 1--      -1.160                -31.415                 48.851
 Raman2 Fr= 1--      14.120                  1.802                  0.618
 ROA2   Fr= 1--     -15.426                -38.808                 12.713
 CID2   Fr= 1--      -1.093                -21.542                 20.568
 Raman3 Fr= 1--      28.239                  3.603                  1.236
 ROA3   Fr= 1--     -38.528               -183.503                 70.915
 CID3   Fr= 1--      -1.364                -50.930                 57.364
 RC180  Fr= 1--       0.700                  0.234                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.09
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.43  -0.07   0.11
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.23
    17   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.44  -0.08   0.12
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.21
    19   1     0.03   0.05   0.00    -0.06   0.12  -0.02    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.01    -0.07   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.05   0.28  -0.08     0.07   0.22   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.06     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.34    -0.33   0.18   0.00    -0.02   0.01   0.00
    25   1    -0.19  -0.41  -0.07    -0.15   0.29  -0.06    -0.01   0.01  -0.00
    26   1     0.30   0.10  -0.05     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.18   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.04  -0.01
    32   1     0.00  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.6623              1658.0434              1809.3719
 Red. masses --      5.9639                 5.8250                 9.5562
 Frc consts  --      9.1951                 9.4350                18.4328
 IR Inten    --      0.1271                 1.8041               330.5545
 RamAct Fr= 1--      1.4896               196.0194                27.1576
  Dep-P Fr= 1--      0.4769                 0.4468                 0.1643
  Dep-U Fr= 1--      0.6458                 0.6177                 0.2822
 Alpha2 Fr= 1--      0.0082                 1.2170                 0.4048
 Beta2  Fr= 1--      0.1603                20.1791                 1.2775
 AlphaG Fr= 1--     -0.0976                 0.7841                -0.0637
 Gamma2 Fr= 1--      0.0734                 5.8290                 3.1946
 Delta2 Fr= 1--     -0.1917                -0.2178                -3.4695
 Raman1 Fr= 1--       5.959                784.078                108.630
 ROA1   Fr= 1--       0.910                552.616                195.654
 CID1   Fr= 1--       0.153                  0.705                  1.801
 Raman2 Fr= 1--       1.924                242.149                 15.330
 ROA2   Fr= 1--       3.294                141.639                104.425
 CID2   Fr= 1--       1.712                  0.585                  6.812
 Raman3 Fr= 1--       3.848                484.297                 30.661
 ROA3   Fr= 1--       0.910                552.616                195.654
 CID3   Fr= 1--       0.236                  1.141                  6.381
 RC180  Fr= 1--       0.292                  0.235                 -0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07  -0.18     0.30  -0.04   0.04     0.01  -0.00  -0.00
     2   6     0.03  -0.11   0.32    -0.21   0.01   0.02    -0.00   0.00   0.00
     3   6    -0.08  -0.07   0.21    -0.27  -0.01   0.10    -0.01  -0.00   0.01
     4   6    -0.03   0.11  -0.32     0.19  -0.01  -0.02     0.03  -0.00  -0.01
     5   6     0.11  -0.07   0.18    -0.29   0.04  -0.04    -0.01   0.00  -0.00
     6   6     0.08   0.06  -0.20     0.28   0.01  -0.11     0.01  -0.00  -0.00
     7   6    -0.01   0.01  -0.04     0.03  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.02    -0.14   0.41   0.55
    13   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.08  -0.24  -0.37
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.03    -0.31   0.09  -0.20    -0.00   0.00  -0.01
    16   1     0.32  -0.00  -0.05     0.26   0.07  -0.27     0.03   0.00  -0.02
    17   1    -0.29   0.01   0.03     0.29  -0.09   0.19     0.02   0.01   0.01
    18   1    -0.30   0.01   0.04    -0.26  -0.07   0.27    -0.01  -0.00   0.01
    19   1     0.24   0.01   0.03     0.01   0.01  -0.01    -0.00   0.00  -0.00
    20   1    -0.16  -0.04  -0.00     0.03   0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00   0.00   0.00
    22   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    23   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    25   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.02   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.00  -0.01   0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.28   0.04  -0.01    -0.01  -0.00   0.00    -0.09   0.22   0.09
    29   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1    -0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.09   0.47
    31   1    -0.03  -0.02  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1     0.00   0.03  -0.01    -0.00   0.02   0.01     0.01   0.02   0.02
    33   1     0.02   0.00  -0.01     0.02   0.01   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8735              3018.5192              3020.4147
 Red. masses --      1.0811                 1.0505                 1.0403
 Frc consts  --      5.7474                 5.6392                 5.5918
 IR Inten    --      3.0921                 8.9936                41.7016
 RamAct Fr= 1--    146.2591                15.8103                32.0325
  Dep-P Fr= 1--      0.1899                 0.6967                 0.2721
  Dep-U Fr= 1--      0.3191                 0.8212                 0.4277
 Alpha2 Fr= 1--      2.0400                 0.0147                 0.3566
 Beta2  Fr= 1--      7.7796                 2.1639                 2.2836
 AlphaG Fr= 1--      1.2500                 0.0591                -0.2000
 Gamma2 Fr= 1--     11.5663                -4.9843                 0.8320
 Delta2 Fr= 1--      7.0124                -2.8927                -3.4743
 Raman1 Fr= 1--     585.036                 63.241                128.130
 ROA1   Fr= 1--    1334.758               -571.058                -31.306
 CID1   Fr= 1--       2.281                 -9.030                 -0.244
 Raman2 Fr= 1--      93.355                 25.967                 27.403
 ROA2   Fr= 1--     221.492                -96.481                 47.762
 CID2   Fr= 1--       2.373                 -3.715                  1.743
 Raman3 Fr= 1--     186.710                 51.934                 54.807
 ROA3   Fr= 1--    1334.758               -571.058                -31.306
 CID3   Fr= 1--       7.149                -10.996                 -0.571
 RC180  Fr= 1--      -0.362                  0.642                 -0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.07     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.06   0.01  -0.24    -0.12  -0.02   0.52     0.06   0.01  -0.26
    20   1     0.00  -0.02   0.01    -0.20   0.48  -0.22     0.09  -0.22   0.10
    21   1    -0.24  -0.02   0.90    -0.03  -0.00   0.10    -0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.28  -0.03  -0.03
    23   1     0.04   0.01  -0.18     0.02   0.00  -0.08    -0.13  -0.02   0.53
    24   1    -0.01  -0.00   0.00     0.01   0.02   0.02    -0.17  -0.26  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.41     0.11   0.01  -0.39
    26   1    -0.01   0.04  -0.01     0.08  -0.28   0.13     0.08  -0.27   0.13
    27   1    -0.02  -0.03  -0.01     0.13   0.21   0.14     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9051              3045.4339              3056.3392
 Red. masses --      1.0439                 1.0362                 1.1034
 Frc consts  --      5.6353                 5.6622                 6.0727
 IR Inten    --     48.7072                27.6740                15.4980
 RamAct Fr= 1--    429.0190               246.5847                34.0597
  Dep-P Fr= 1--      0.0109                 0.0657                 0.6922
  Dep-U Fr= 1--      0.0215                 0.1233                 0.8181
 Alpha2 Fr= 1--      9.2948                 4.6916                 0.0345
 Beta2  Fr= 1--      1.5360                 5.0659                 4.6440
 AlphaG Fr= 1--     -1.0591                -0.8011                -0.2797
 Gamma2 Fr= 1--     -2.1497                 0.2332                -0.5501
 Delta2 Fr= 1--     -0.3569                 3.0247                 2.4479
 Raman1 Fr= 1--    1716.076                986.339                136.239
 ROA1   Fr= 1--    -217.790                119.174                 25.521
 CID1   Fr= 1--      -0.127                  0.121                  0.187
 Raman2 Fr= 1--      18.433                 60.790                 55.728
 ROA2   Fr= 1--     -48.737                -18.602                -32.787
 CID2   Fr= 1--      -2.644                 -0.306                 -0.588
 Raman3 Fr= 1--      36.865                121.581                111.455
 ROA3   Fr= 1--    -217.790                119.174                 25.521
 CID3   Fr= 1--      -5.908                  0.980                  0.229
 RC180  Fr= 1--      -0.957                 -0.753                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.06  -0.01   0.27    -0.00  -0.00   0.00    -0.16  -0.01   0.67
    20   1    -0.13   0.31  -0.14    -0.00   0.00  -0.00     0.24  -0.58   0.25
    21   1    -0.05  -0.00   0.19    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.29  -0.04  -0.03     0.00  -0.00  -0.00     0.05  -0.00  -0.00
    23   1    -0.12  -0.02   0.49    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.17  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.10  -0.01   0.32    -0.00  -0.00   0.00     0.03  -0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.05
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.00   0.00   0.00     0.68  -0.04  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.00   0.00    -0.18   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3077.9171              3084.2591              3084.3764
 Red. masses --      1.0993                 1.0860                 1.0983
 Frc consts  --      6.1361                 6.0868                 6.1562
 IR Inten    --     11.1039                 0.8001                58.2038
 RamAct Fr= 1--     25.0625                67.7974               112.1660
  Dep-P Fr= 1--      0.7463                 0.4586                 0.3019
  Dep-U Fr= 1--      0.8547                 0.6288                 0.4638
 Alpha2 Fr= 1--      0.0016                 0.4013                 1.1439
 Beta2  Fr= 1--      3.5702                 7.1055                 8.6703
 AlphaG Fr= 1--     -0.0145                 0.5349                -1.9101
 Gamma2 Fr= 1--    -10.9547               -31.7881                35.7983
 Delta2 Fr= 1--      3.5914               -25.2049                 9.1501
 Raman1 Fr= 1--     100.250                271.190                448.664
 ROA1   Fr= 1--    -936.727              -3858.217               3729.444
 CID1   Fr= 1--      -9.344                -14.227                  8.312
 Raman2 Fr= 1--      42.842                 85.266                104.043
 ROA2   Fr= 1--    -291.644               -561.276                785.959
 CID2   Fr= 1--      -6.807                 -6.583                  7.554
 Raman3 Fr= 1--      85.684                170.532                208.087
 ROA3   Fr= 1--    -936.727              -3858.217               3729.444
 CID3   Fr= 1--     -10.932                -22.625                 17.923
 RC180  Fr= 1--       0.709                  0.258                 -0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.02
     9   6    -0.00   0.03   0.05    -0.00   0.01   0.01     0.00  -0.03  -0.05
    10   6    -0.01   0.01  -0.07     0.00  -0.01   0.01    -0.00   0.03  -0.05
    11   6     0.00   0.00  -0.00     0.02   0.03  -0.07     0.00   0.01  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.01
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    19   1    -0.01  -0.00   0.04     0.01  -0.00  -0.03    -0.02   0.00   0.11
    20   1     0.01  -0.03   0.01    -0.01   0.02  -0.01     0.03  -0.08   0.03
    21   1    -0.01   0.00   0.04     0.01   0.00  -0.05    -0.05  -0.01   0.19
    22   1     0.17  -0.02  -0.00     0.04  -0.00  -0.00    -0.16   0.02   0.00
    23   1     0.09   0.03  -0.36     0.03   0.01  -0.11    -0.10  -0.03   0.42
    24   1    -0.23  -0.36  -0.23    -0.07  -0.10  -0.06     0.25   0.39   0.24
    25   1    -0.17  -0.01   0.53     0.03  -0.00  -0.10    -0.12   0.00   0.39
    26   1     0.10  -0.34   0.14    -0.03   0.10  -0.05     0.13  -0.41   0.18
    27   1     0.17   0.27   0.16    -0.01  -0.02  -0.01     0.03   0.05   0.02
    28   1    -0.00  -0.00   0.00    -0.18  -0.34   0.86    -0.05  -0.09   0.22
    29   6     0.00  -0.00  -0.00    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.04   0.07  -0.18     0.01   0.02  -0.05
    32   1    -0.00   0.00   0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.1181              3104.1100              3106.9954
 Red. masses --      1.1013                 1.1002                 1.1021
 Frc consts  --      6.1961                 6.2461                 6.2684
 IR Inten    --     42.3266                33.0066                25.3044
 RamAct Fr= 1--    131.7782                54.8109               114.8525
  Dep-P Fr= 1--      0.6518                 0.7035                 0.7085
  Dep-U Fr= 1--      0.7892                 0.8260                 0.8294
 Alpha2 Fr= 1--      0.2321                 0.0443                 0.0826
 Beta2  Fr= 1--     17.3335                 7.5453                15.8765
 AlphaG Fr= 1--     -0.2905                -0.1487                 0.1711
 Gamma2 Fr= 1--      2.4410               -10.2364                -3.2435
 Delta2 Fr= 1--      7.7841                -0.4018                -4.8755
 Raman1 Fr= 1--     527.113                219.244                459.410
 ROA1   Fr= 1--     483.429               -995.552               -467.394
 CID1   Fr= 1--       0.917                 -4.541                 -1.017
 Raman2 Fr= 1--     208.002                 90.544                190.518
 ROA2   Fr= 1--      -3.688               -242.459                -38.840
 CID2   Fr= 1--      -0.018                 -2.678                 -0.204
 Raman3 Fr= 1--     416.004                181.087                381.036
 ROA3   Fr= 1--     483.429               -995.552               -467.394
 CID3   Fr= 1--       1.162                 -5.498                 -1.227
 RC180  Fr= 1--       0.578                  0.652                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00    -0.00  -0.00  -0.00
    10   6    -0.01  -0.09  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00   0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.12  -0.08     0.01  -0.00  -0.00
    23   1    -0.03  -0.01   0.13     0.02   0.00  -0.17     0.00   0.00  -0.00
    24   1     0.07   0.11   0.07     0.19   0.33   0.22     0.00   0.01   0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.16   0.48  -0.24    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    27   1     0.37   0.57   0.38     0.02   0.02   0.02     0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.05  -0.02
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.67   0.02   0.12
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.20   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.0762              3158.5428              3165.3189
 Red. masses --      1.1003                 1.0868                 1.0882
 Frc consts  --      6.3558                 6.3883                 6.4236
 IR Inten    --     15.0210                11.3620                12.9730
 RamAct Fr= 1--     30.2513                58.9958                61.2236
  Dep-P Fr= 1--      0.6177                 0.6524                 0.4764
  Dep-U Fr= 1--      0.7637                 0.7896                 0.6454
 Alpha2 Fr= 1--      0.0733                 0.1033                 0.3361
 Beta2  Fr= 1--      3.8502                 7.7639                 6.5855
 AlphaG Fr= 1--     -0.0498                 0.1660                -0.2074
 Gamma2 Fr= 1--     -1.2457                -0.7340                -0.8568
 Delta2 Fr= 1--      1.1733                 0.1468                 0.6613
 Raman1 Fr= 1--     121.005                235.983                244.894
 ROA1   Fr= 1--     -82.036                -65.769                -61.095
 CID1   Fr= 1--      -0.678                 -0.279                 -0.249
 Raman2 Fr= 1--      46.203                 93.167                 79.026
 ROA2   Fr= 1--     -39.282                -18.791                -25.855
 CID2   Fr= 1--      -0.850                 -0.202                 -0.327
 Raman3 Fr= 1--      92.406                186.334                158.053
 ROA3   Fr= 1--     -82.036                -65.769                -61.095
 CID3   Fr= 1--      -0.888                 -0.353                 -0.387
 RC180  Fr= 1--       0.527                  0.579                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.38  -0.25   0.83
    16   1    -0.03   0.01  -0.04     0.01  -0.01   0.02    -0.17   0.10  -0.23
    17   1     0.01   0.01  -0.02     0.22   0.14  -0.48    -0.02  -0.01   0.04
    18   1     0.00  -0.00   0.01     0.47  -0.26   0.63     0.03  -0.02   0.04
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.04  -0.07   0.19     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.29   0.80     0.00   0.00  -0.01     0.00   0.01  -0.02
    32   1    -0.20   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.13  -0.38   0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3176.9931              3193.5886              3727.7420
 Red. masses --      1.0936                 1.0922                 1.0641
 Frc consts  --      6.5033                 6.5629                 8.7118
 IR Inten    --     13.4159                 5.7781                67.2085
 RamAct Fr= 1--    139.0766               106.0879               147.7202
  Dep-P Fr= 1--      0.1549                 0.1581                 0.2494
  Dep-U Fr= 1--      0.2682                 0.2730                 0.3993
 Alpha2 Fr= 1--      2.1234                 1.6067                 1.7536
 Beta2  Fr= 1--      6.2176                 4.8265                 9.8296
 AlphaG Fr= 1--     -0.2677                 0.1144                -0.3252
 Gamma2 Fr= 1--     -0.2281                 2.2442                 4.8381
 Delta2 Fr= 1--     -0.7018                 0.4703                -1.7376
 Raman1 Fr= 1--     556.306                424.352                590.881
 ROA1   Fr= 1--     -44.360                230.496                408.853
 CID1   Fr= 1--      -0.080                  0.543                  0.692
 Raman2 Fr= 1--      74.611                 57.918                117.955
 ROA2   Fr= 1--       0.139                 50.100                130.015
 CID2   Fr= 1--       0.002                  0.865                  1.102
 Raman3 Fr= 1--     149.222                115.835                235.909
 ROA3   Fr= 1--     -44.360                230.496                408.853
 CID3   Fr= 1--      -0.297                  1.990                  1.733
 RC180  Fr= 1--      -0.464                 -0.454                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.03   0.01  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06  -0.01
    15   1     0.02   0.01  -0.05    -0.13  -0.08   0.26    -0.00  -0.00   0.00
    16   1     0.04  -0.02   0.05     0.54  -0.30   0.72     0.00  -0.00  -0.00
    17   1    -0.34  -0.22   0.73     0.01   0.01  -0.03     0.00  -0.00  -0.00
    18   1     0.31  -0.17   0.41    -0.02   0.01  -0.03    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.27   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1345.734926925.358827223.32019
           X            0.99983   0.01747   0.00518
           Y           -0.01717   0.99844  -0.05315
           Z           -0.00610   0.05305   0.99857
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06436     0.01251     0.01199
 Rotational constants (GHZ):           1.34108     0.26060     0.24985
 Zero-point vibrational energy     746220.3 (Joules/Mol)
                                  178.35094 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.85    53.18    64.43    79.12    97.43
          (Kelvin)            160.08   239.92   284.71   327.17   335.90
                              359.77   366.04   427.69   458.38   497.95
                              557.48   586.06   603.26   615.26   652.98
                              795.25   835.87   871.49   914.20   953.69
                             1045.88  1083.48  1154.99  1184.48  1200.64
                             1224.94  1233.33  1255.81  1290.67  1347.41
                             1374.97  1382.58  1398.36  1401.82  1441.47
                             1503.23  1524.98  1567.38  1599.83  1638.71
                             1658.44  1707.60  1717.70  1745.41  1757.11
                             1779.83  1797.02  1867.06  1897.57  1929.41
                             1936.71  1946.22  1970.37  1974.77  1981.08
                             2019.42  2040.10  2047.66  2100.99  2137.48
                             2144.25  2152.06  2154.91  2160.82  2164.53
                             2174.59  2232.27  2327.46  2385.55  2603.28
                             4321.90  4342.98  4345.70  4355.04  4381.70
                             4397.39  4428.44  4437.56  4437.73  4445.99
                             4466.12  4470.27  4504.92  4544.44  4554.19
                             4570.98  4594.86  5363.39
 
 Zero-point correction=                           0.284220 (Hartree/Particle)
 Thermal correction to Energy=                    0.299899
 Thermal correction to Enthalpy=                  0.300843
 Thermal correction to Gibbs Free Energy=         0.239452
 Sum of electronic and zero-point Energies=           -656.738499
 Sum of electronic and thermal Energies=              -656.722821
 Sum of electronic and thermal Enthalpies=            -656.721877
 Sum of electronic and thermal Free Energies=         -656.783268
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.189             58.758            129.209
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.576
 Vibrational            186.412             52.797             54.758
 Vibration     1          0.593              1.985              6.433
 Vibration     2          0.594              1.982              5.416
 Vibration     3          0.595              1.979              5.036
 Vibration     4          0.596              1.976              4.629
 Vibration     5          0.598              1.970              4.219
 Vibration     6          0.607              1.940              3.247
 Vibration     7          0.624              1.883              2.472
 Vibration     8          0.637              1.843              2.153
 Vibration     9          0.651              1.799              1.899
 Vibration    10          0.654              1.790              1.852
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.665              1.755              1.700
 Vibration    13          0.691              1.679              1.432
 Vibration    14          0.705              1.638              1.317
 Vibration    15          0.724              1.583              1.184
 Vibration    16          0.756              1.497              1.010
 Vibration    17          0.772              1.454              0.936
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.789              1.410              0.866
 Vibration    20          0.812              1.352              0.784
 Vibration    21          0.908              1.134              0.539
 Vibration    22          0.938              1.072              0.484
 Vibration    23          0.964              1.020              0.440
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.724289-110       -110.140088       -253.606926
 Total V=0       0.390901D+21         20.592067         47.414986
 Vib (Bot)       0.211997-124       -124.673671       -287.071737
 Vib (Bot)    1  0.935804D+01          0.971185          2.236236
 Vib (Bot)    2  0.559922D+01          0.748127          1.722627
 Vib (Bot)    3  0.461871D+01          0.664520          1.530114
 Vib (Bot)    4  0.375706D+01          0.574848          1.323636
 Vib (Bot)    5  0.304671D+01          0.483831          1.114062
 Vib (Bot)    6  0.184032D+01          0.264894          0.609942
 Vib (Bot)    7  0.120981D+01          0.082718          0.190465
 Vib (Bot)    8  0.100846D+01          0.003657          0.008420
 Vib (Bot)    9  0.867141D+00         -0.061910         -0.142554
 Vib (Bot)   10  0.842360D+00         -0.074502         -0.171548
 Vib (Bot)   11  0.780497D+00         -0.107629         -0.247824
 Vib (Bot)   12  0.765533D+00         -0.116036         -0.267183
 Vib (Bot)   13  0.640757D+00         -0.193307         -0.445105
 Vib (Bot)   14  0.590544D+00         -0.228748         -0.526711
 Vib (Bot)   15  0.534438D+00         -0.272103         -0.626540
 Vib (Bot)   16  0.464178D+00         -0.333316         -0.767488
 Vib (Bot)   17  0.435213D+00         -0.361298         -0.831919
 Vib (Bot)   18  0.419010D+00         -0.377775         -0.869860
 Vib (Bot)   19  0.408205D+00         -0.389122         -0.895986
 Vib (Bot)   20  0.376671D+00         -0.424038         -0.976384
 Vib (Bot)   21  0.283181D+00         -0.547936         -1.261669
 Vib (Bot)   22  0.262043D+00         -0.581627         -1.339246
 Vib (Bot)   23  0.245067D+00         -0.610716         -1.406225
 Vib (V=0)       0.114415D+07          6.058484         13.950175
 Vib (V=0)    1  0.987139D+01          0.994378          2.289641
 Vib (V=0)    2  0.612150D+01          0.786858          1.811807
 Vib (V=0)    3  0.514569D+01          0.711444          1.638160
 Vib (V=0)    4  0.429018D+01          0.632476          1.456329
 Vib (V=0)    5  0.358746D+01          0.554787          1.277445
 Vib (V=0)    6  0.240704D+01          0.381483          0.878397
 Vib (V=0)    7  0.180906D+01          0.257454          0.592809
 Vib (V=0)    8  0.162560D+01          0.211015          0.485879
 Vib (V=0)    9  0.150097D+01          0.176371          0.406109
 Vib (V=0)   10  0.147958D+01          0.170137          0.391756
 Vib (V=0)   11  0.142692D+01          0.154399          0.355516
 Vib (V=0)   12  0.141435D+01          0.150558          0.346672
 Vib (V=0)   13  0.131275D+01          0.118183          0.272127
 Vib (V=0)   14  0.127378D+01          0.105096          0.241992
 Vib (V=0)   15  0.123186D+01          0.090563          0.208528
 Vib (V=0)   16  0.118225D+01          0.072708          0.167417
 Vib (V=0)   17  0.116288D+01          0.065535          0.150900
 Vib (V=0)   18  0.115236D+01          0.061587          0.141809
 Vib (V=0)   19  0.114547D+01          0.058984          0.135815
 Vib (V=0)   20  0.112600D+01          0.051540          0.118675
 Vib (V=0)   21  0.107462D+01          0.031256          0.071970
 Vib (V=0)   22  0.106451D+01          0.027148          0.062511
 Vib (V=0)   23  0.105683D+01          0.024004          0.055272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.293707D+07          6.467915         14.892925
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665555444444443333333222221111100009999988888887766655444433322222111     
     2        97653009887542210                           051510099986210776544194321985318640776539755320526308552108419553296165432
     8        47591740448657094                           988214286060384739361989713473929052421667371433373561348977697403787185572
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   XXXXXXXXXXXXXXXXXX XXXXXXX   X  XXXX
     X             XXXX   XXX                             X  X                        X    X X               XXX                     
     X               XX    XX                             X                           X    X                 XX                      
     X                X                                   X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
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                                                          X                                                                          
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008985    0.000000860    0.000001620
      2        6           0.000002389    0.000002016   -0.000012107
      3        6          -0.000006555   -0.000000633   -0.000000340
      4        6          -0.000003379    0.000000261    0.000004122
      5        6           0.000009691   -0.000003031    0.000000202
      6        6          -0.000008623   -0.000000901    0.000006230
      7        6          -0.000004068    0.000005765    0.000008112
      8        6           0.000004158    0.000002418   -0.000004277
      9        6          -0.000001036   -0.000007279    0.000004827
     10        6          -0.000005906   -0.000001000    0.000002659
     11        6           0.000003723    0.000002762    0.000004472
     12        6          -0.000001191    0.000008856   -0.000067306
     13        8          -0.000003477    0.000009918    0.000032308
     14        8           0.000002671   -0.000016196    0.000032381
     15        1          -0.000000145    0.000000288   -0.000000963
     16        1           0.000001719    0.000000247   -0.000000321
     17        1          -0.000002538    0.000000891    0.000000142
     18        1           0.000002154   -0.000000813   -0.000000830
     19        1           0.000001636   -0.000003298   -0.000002055
     20        1           0.000002468   -0.000001267   -0.000000118
     21        1          -0.000001488   -0.000001662    0.000001101
     22        1          -0.000000340    0.000001084   -0.000000992
     23        1           0.000000132    0.000001794   -0.000003077
     24        1           0.000001158    0.000001413    0.000000179
     25        1           0.000003162   -0.000000508   -0.000002702
     26        1           0.000000688   -0.000000749   -0.000000456
     27        1           0.000001587    0.000001090   -0.000000602
     28        1          -0.000002291    0.000000880   -0.000001536
     29        6          -0.000003898   -0.000001520    0.000002719
     30        1           0.000000031    0.000000139    0.000000675
     31        1          -0.000001302   -0.000001673   -0.000001083
     32        1          -0.000000453    0.000000258   -0.000002496
     33        1           0.000000338   -0.000000410   -0.000000488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000067306 RMS     0.000009027
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223923D+03 -0.257687D+01 -0.441587D+00
      2  -0.257687D+01  0.137355D+03 -0.708437D+01
      3  -0.441587D+00 -0.708437D+01  0.150842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.196837D+01 -0.702774D+01  0.218865D+02
      2   0.103997D+02 -0.746058D+01  0.299852D+02
      3  -0.113523D+03 -0.412961D+02  0.104370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253889D+03  0.444836D+02  0.422658D+01
      2  -0.133606D+03 -0.222708D+02  0.199515D+02
      3  -0.120283D+03 -0.222128D+02 -0.241781D+02
      4  -0.301197D+02  0.714652D+02 -0.241676D+02
      5   0.318859D+00 -0.260543D+02  0.586427D+02
      6  -0.132624D+02  0.142305D+02 -0.316080D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153004D+02  0.469215D+00  0.958764D+00  0.653957D+01  0.222083D+01
      2   0.469215D+00  0.764461D+00  0.896382D-01  0.222083D+01  0.201112D+01
      3   0.958764D+00  0.896382D-01  0.146222D+01  0.457388D-01 -0.278050D+01
                 6             7             8             9            10 
      1   0.457388D-01 -0.120177D+02  0.534853D+00 -0.439783D+00  0.350802D+02
      2  -0.278050D+01  0.534853D+00 -0.133451D+01 -0.106742D+01  0.141520D+01
      3  -0.234673D+01 -0.439783D+00 -0.106742D+01 -0.154405D+01 -0.114691D+01
                11            12            13            14            15 
      1   0.141520D+01 -0.114691D+01 -0.861003D+00  0.484493D+01  0.108823D+01
      2   0.191355D+01 -0.690549D+00  0.484493D+01 -0.970488D+00 -0.163030D+00
      3  -0.690549D+00  0.278942D+01  0.108823D+01 -0.163030D+00 -0.544457D+00
                16            17            18            19            20 
      1  -0.315647D+01  0.111972D+01  0.149042D+01  0.121514D+02 -0.564741D+00
      2   0.111972D+01  0.595988D+00 -0.917496D+00 -0.564741D+00 -0.830352D+00
      3   0.149042D+01 -0.917496D+00 -0.738355D+00 -0.883514D+00 -0.272815D+00
                21            22            23            24            25 
      1  -0.883514D+00  0.538272D+01 -0.180655D+01 -0.112530D+01 -0.150969D+02
      2  -0.272815D+00 -0.180655D+01  0.237445D+01 -0.226336D+01  0.152838D+00
      3  -0.283379D+01 -0.112530D+01 -0.226336D+01 -0.137698D+01  0.869255D+00
                26            27            28            29            30 
      1   0.152838D+00  0.869255D+00 -0.337779D+02  0.795175D+00  0.102412D+01
      2  -0.100494D+01 -0.916860D+00  0.795175D+00 -0.171776D+01  0.167782D+00
      3  -0.916860D+00 -0.149733D+01  0.102412D+01  0.167782D+00 -0.272317D+01
                31            32            33            34            35 
      1   0.281185D+01 -0.530875D+01 -0.162705D+01  0.303554D+01 -0.133837D+01
      2  -0.530875D+01  0.535958D+00  0.376119D+00 -0.133837D+01 -0.129260D+00
      3  -0.162705D+01  0.376119D+00 -0.147896D+00 -0.882809D+00 -0.921771D+00
                36            37            38            39            40 
      1  -0.882809D+00  0.161201D+02 -0.564073D+00 -0.125437D+01 -0.373552D+01
      2  -0.921771D+00 -0.564073D+00 -0.196021D+01  0.140273D+01 -0.178835D+01
      3   0.502319D+00 -0.125437D+01  0.140273D+01 -0.164474D+01 -0.485634D+00
                41            42            43            44            45 
      1  -0.178835D+01 -0.485634D+00  0.132558D+02 -0.213878D+01  0.207530D+00
      2  -0.264518D+01  0.254267D+01 -0.213878D+01  0.121762D+01  0.141884D+01
      3   0.254267D+01  0.201685D+01  0.207530D+00  0.141884D+01  0.153170D+01
                46            47            48            49            50 
      1  -0.118118D+02  0.422588D+00  0.847284D+00 -0.336843D+01  0.119562D+01
      2   0.422588D+00  0.161724D+01 -0.895225D+00  0.119562D+01 -0.333942D+01
      3   0.847284D+00 -0.895225D+00  0.264481D+01  0.153550D+01  0.215921D+01
                51            52            53            54            55 
      1   0.153550D+01  0.144991D+02  0.145700D+01 -0.129854D+01 -0.188410D+02
      2   0.215921D+01  0.145700D+01 -0.119532D+00  0.149999D+01 -0.206501D+01
      3   0.106886D+01 -0.129854D+01  0.149999D+01  0.846544D+00 -0.236799D+00
                56            57            58            59            60 
      1  -0.206501D+01 -0.236799D+00 -0.678368D+01 -0.776529D+01 -0.570603D+00
      2  -0.355205D+01 -0.113443D+00 -0.776529D+01  0.252085D+01 -0.172667D+01
      3  -0.113443D+00 -0.147915D+01 -0.570603D+00 -0.172667D+01  0.156280D+00
                61            62            63            64            65 
      1  -0.695668D+01 -0.131955D+01 -0.318568D+01  0.179125D+00  0.293583D+01
      2  -0.131955D+01 -0.313407D+01  0.703253D+00  0.293583D+01  0.386963D+01
      3  -0.318568D+01  0.703253D+00  0.525141D+01 -0.209728D+00  0.370714D+00
                66            67            68            69            70 
      1  -0.209728D+00  0.128263D+02  0.691166D+01  0.832099D+00  0.672868D+01
      2   0.370714D+00  0.691166D+01 -0.140090D+01  0.218309D+01  0.144184D+01
      3   0.251144D+01  0.832099D+00  0.218309D+01  0.481536D+00  0.379709D+01
                71            72            73            74            75 
      1   0.144184D+01  0.379709D+01  0.602339D+01 -0.250780D+01 -0.979808D+00
      2   0.309190D+01  0.530390D+00 -0.250780D+01 -0.353817D+01 -0.657627D+00
      3   0.530390D+00 -0.723105D+01 -0.979808D+00 -0.657627D+00 -0.190690D+01
                76            77            78            79            80 
      1  -0.394997D+01 -0.405413D+01 -0.918964D+00 -0.228066D+01 -0.992825D+00
      2  -0.405413D+01 -0.547656D+00 -0.290332D+01 -0.992825D+00 -0.408441D+01
      3  -0.918964D+00 -0.290332D+01 -0.105357D+01 -0.269193D+01 -0.188105D+01
                81            82            83            84            85 
      1  -0.269193D+01  0.528031D+01 -0.167945D+01 -0.409703D+00 -0.412271D+01
      2  -0.188105D+01 -0.167945D+01 -0.355789D+01 -0.510863D+00 -0.584824D+01
      3   0.528149D+01 -0.409703D+00 -0.510863D+00 -0.293351D+01 -0.901731D+00
                86            87            88            89            90 
      1  -0.584824D+01 -0.901731D+00 -0.206342D+01 -0.979824D+00 -0.461499D+01
      2   0.199964D+01 -0.385945D+01 -0.979824D+00 -0.398069D+01 -0.230090D+00
      3  -0.385945D+01 -0.376014D+00 -0.461499D+01 -0.230090D+00  0.434353D+01
                91            92            93            94            95 
      1   0.776198D+01  0.171572D+01  0.185643D+01 -0.478373D+01  0.669925D+01
      2   0.171572D+01  0.197972D+01  0.358890D+00  0.669925D+01 -0.380674D+01
      3   0.185643D+01  0.358890D+00  0.159650D+01  0.167890D+01  0.573384D+00
                96            97            98            99           100 
      1   0.167890D+01  0.292612D+01  0.233592D+01  0.257373D+01  0.160482D+01
      2   0.573384D+00  0.233592D+01  0.613448D+00  0.279831D+01 -0.153900D+01
      3   0.227452D+01  0.257373D+01  0.279831D+01 -0.326397D+01 -0.175748D+01
               101           102           103           104           105 
      1  -0.153900D+01 -0.175748D+01 -0.148752D+01 -0.897241D+00  0.142746D+01
      2   0.491258D-01  0.894682D+00 -0.897241D+00  0.303243D+01 -0.178696D+01
      3   0.894682D+00  0.697342D+00  0.142746D+01 -0.178696D+01 -0.336383D+01
               106           107           108           109           110 
      1  -0.521371D+01  0.243805D+01  0.146326D+01 -0.309723D+01  0.195916D+01
      2   0.243805D+01 -0.446923D+01 -0.353344D+01  0.195916D+01 -0.100888D+01
      3   0.146326D+01 -0.353344D+01 -0.218152D+01  0.337417D+01 -0.807800D+00
               111           112           113           114           115 
      1   0.337417D+01  0.448381D+01 -0.321167D+01 -0.191535D+01  0.876293D+01
      2  -0.807800D+00 -0.321167D+01  0.468424D+01  0.386593D+01 -0.372794D+01
      3  -0.151598D+01 -0.191535D+01  0.386593D+01  0.356701D+01 -0.367717D+01
               116           117           118           119           120 
      1  -0.372794D+01 -0.367717D+01 -0.692068D-01 -0.376647D+00 -0.132310D+01
      2   0.528589D+01  0.421348D+01 -0.376647D+00  0.202021D+01 -0.276712D+00
      3   0.421348D+01  0.900194D+01 -0.132310D+01 -0.276712D+00 -0.157838D+00
               121           122           123           124           125 
      1  -0.719185D+00  0.318630D+01 -0.622748D+00 -0.479358D+01  0.930688D+00
      2   0.318630D+01 -0.710146D+01  0.381749D-01  0.930688D+00 -0.116330D+01
      3  -0.622748D+00  0.381749D-01 -0.662155D-01 -0.107391D+01  0.143795D+01
               126           127           128           129           130 
      1  -0.107391D+01  0.204011D+01  0.638648D+00 -0.206386D+01  0.132615D+00
      2   0.143795D+01  0.638648D+00  0.275590D+00 -0.423295D+00  0.192200D+00
      3  -0.403290D+01 -0.206386D+01 -0.423295D+00  0.217922D+01 -0.723452D+00
               131           132           133           134           135 
      1   0.192200D+00 -0.723452D+00 -0.240617D+01 -0.855623D+00  0.275751D+01
      2   0.381631D+00 -0.641116D+00 -0.855623D+00 -0.116366D+01  0.162402D+01
      3  -0.641116D+00  0.221243D+01  0.275751D+01  0.162402D+01 -0.728831D+01
               136           137           138           139           140 
      1  -0.360726D+01  0.888627D+00 -0.207734D+01  0.151942D+01 -0.592824D+00
      2   0.888627D+00 -0.639196D+00  0.573360D+00 -0.592824D+00  0.589816D+00
      3  -0.207734D+01  0.573360D+00 -0.186385D+01  0.113448D+01 -0.575149D+00
               141           142           143           144           145 
      1   0.113448D+01 -0.252131D+01  0.863211D+00 -0.270089D+01 -0.206590D+01
      2  -0.575149D+00  0.863211D+00 -0.111158D+01  0.142336D+01 -0.714265D+00
      3   0.187478D+01 -0.270089D+01  0.142336D+01 -0.485609D+01  0.204852D+01
               146           147           148           149           150 
      1  -0.714265D+00  0.204852D+01 -0.496675D+00 -0.230185D+00  0.753349D+00
      2  -0.382122D+00  0.693667D+00 -0.230185D+00 -0.626193D+00  0.870625D+00
      3   0.693667D+00 -0.220311D+01  0.753349D+00  0.870625D+00 -0.228261D+01
               151           152           153           154           155 
      1   0.205414D+01  0.101111D+01 -0.267746D+01  0.361881D+01 -0.107404D+01
      2   0.101111D+01  0.162950D+01 -0.240231D+01 -0.107404D+01  0.873244D+00
      3  -0.267746D+01 -0.240231D+01  0.732954D+01  0.256918D+01 -0.109962D+01
               156           157           158           159           160 
      1   0.256918D+01 -0.188203D+01  0.720191D+00 -0.128295D+01  0.271667D+01
      2  -0.109962D+01  0.720191D+00 -0.857902D+00  0.897856D+00 -0.124222D+01
      3   0.236347D+01 -0.128295D+01  0.897856D+00 -0.204350D+01  0.304779D+01
               161           162           163           164           165 
      1  -0.124222D+01  0.304779D+01  0.128682D+01 -0.451681D-01 -0.154349D+01
      2   0.161206D+01 -0.215544D+01 -0.451681D-01  0.765485D+00  0.314804D+00
      3  -0.215544D+01  0.531783D+01 -0.154349D+01  0.314804D+00  0.141572D+01
               166           167           168           169           170 
      1   0.183217D+01  0.122501D+01 -0.284056D-01 -0.380981D+01  0.137755D+00
      2   0.122501D+01 -0.409940D+00 -0.721892D+00  0.137755D+00 -0.115399D+01
      3  -0.284056D-01 -0.721892D+00  0.263357D-01  0.248306D+01 -0.123568D+01
               171           172           173           174           175 
      1   0.248306D+01  0.464535D+01 -0.191374D+01  0.687209D+00 -0.439870D+01
      2  -0.123568D+01 -0.191374D+01  0.235947D+01 -0.931704D-01  0.364073D+01
      3  -0.619556D+01  0.687209D+00 -0.931704D-01  0.389518D+00 -0.249429D+00
               176           177           178           179           180 
      1   0.364073D+01 -0.249429D+00  0.554192D+01 -0.476798D+00  0.112054D+01
      2  -0.668388D+01  0.911452D+00 -0.476798D+00  0.213287D+01 -0.111537D+01
      3   0.911452D+00 -0.779019D+00  0.112054D+01 -0.111537D+01  0.345603D+00
               181           182           183           184           185 
      1  -0.876201D+00 -0.786292D+00  0.128573D+01 -0.174685D+01 -0.917778D+00
      2  -0.786292D+00 -0.899791D+00 -0.832831D-01 -0.917778D+00  0.190268D+00
      3   0.128573D+01 -0.832831D-01 -0.106473D+01  0.959664D-01  0.696664D+00
               186           187           188           189           190 
      1   0.959664D-01  0.220464D+01  0.140540D+00 -0.670011D+00 -0.880628D+01
      2   0.696664D+00  0.140540D+00  0.108244D+01  0.205081D-01  0.610286D+00
      3   0.520684D-02 -0.670011D+00  0.205081D-01  0.736092D+01  0.359206D+00
               191           192           193           194           195 
      1   0.610286D+00  0.359206D+00  0.179646D+00 -0.133687D+01  0.776550D-01
      2  -0.235726D+01  0.105695D+00 -0.133687D+01  0.745797D+00  0.338068D+00
      3   0.105695D+00 -0.625903D+00  0.776550D-01  0.338068D+00  0.361384D+00
               196           197           198           199           200 
      1   0.407853D+00 -0.116767D+00 -0.328792D+00  0.427357D+00  0.639244D+00
      2  -0.116767D+00  0.575103D+00  0.562621D+00  0.639244D+00  0.953482D+00
      3  -0.328792D+00  0.562621D+00 -0.341450D+00 -0.105704D+01 -0.323004D+00
               201           202           203           204           205 
      1  -0.105704D+01  0.295885D+00  0.597465D+00 -0.997325D-01 -0.175175D+01
      2  -0.323004D+00  0.597465D+00  0.796047D+00 -0.731541D+00 -0.542340D+00
      3   0.138664D+01 -0.997325D-01 -0.731541D+00  0.551016D+00  0.152868D+01
               206           207           208           209           210 
      1  -0.542340D+00  0.152868D+01  0.240549D+01  0.267804D+01  0.898639D+00
      2  -0.191814D+01  0.190621D+01  0.267804D+01  0.340059D+01  0.692450D+00
      3   0.190621D+01 -0.668550D+01  0.898639D+00  0.692450D+00  0.926958D+00
               211           212           213           214           215 
      1   0.226571D+01  0.339138D+01  0.873457D+00  0.188287D+01  0.152103D+01
      2   0.339138D+01  0.698185D+01  0.196261D+01  0.152103D+01  0.349212D+01
      3   0.873457D+00  0.196261D+01  0.133607D+01  0.127580D+01  0.187286D+01
               216           217           218           219           220 
      1   0.127580D+01  0.210348D+01  0.101718D+00 -0.165415D+01  0.378710D+00
      2   0.187286D+01  0.101718D+00  0.604132D+00  0.608769D-01  0.122146D+01
      3   0.111665D+01 -0.165415D+01  0.608769D-01  0.170270D+01  0.199110D-01
               221           222           223           224           225 
      1   0.122146D+01  0.199110D-01 -0.450638D+01  0.124617D+00  0.340930D+01
      2  -0.169138D+00 -0.460150D+00  0.124617D+00 -0.902206D+00 -0.602044D-01
      3  -0.460150D+00  0.733548D-01  0.340930D+01 -0.602044D-01 -0.597413D+01
               226           227           228           229           230 
      1   0.187189D+01 -0.177603D+01  0.900905D+00 -0.402496D+01  0.340406D+01
      2  -0.177603D+01  0.175177D+01 -0.540229D+00  0.340406D+01 -0.575504D+01
      3   0.900905D+00 -0.540229D+00  0.860421D+00 -0.110420D+01  0.203725D+01
               231           232           233           234           235 
      1  -0.110420D+01  0.197304D+01 -0.953199D+00  0.171188D+01  0.463445D+01
      2   0.203725D+01 -0.953199D+00  0.221332D+01 -0.137943D+01  0.251441D+01
      3  -0.155519D+01  0.171188D+01 -0.137943D+01  0.120138D+01  0.174668D+01
               236           237           238           239           240 
      1   0.251441D+01  0.174668D+01  0.589653D+01  0.373280D+01  0.167684D+01
      2   0.197015D+01  0.916588D+00  0.373280D+01  0.362541D+01  0.188928D+01
      3   0.916588D+00  0.135790D+01  0.167684D+01  0.188928D+01  0.161293D+01
               241           242           243           244           245 
      1   0.373064D+01  0.153138D+01  0.254365D+01  0.124088D-01 -0.843103D+00
      2   0.153138D+01  0.205409D+01  0.139951D+01 -0.843103D+00 -0.686776D+00
      3   0.254365D+01  0.139951D+01  0.166550D+01  0.124638D+01  0.240396D+00
               246           247           248           249           250 
      1   0.124638D+01 -0.121888D+01 -0.119836D+01  0.401781D+00  0.263183D+01
      2   0.240396D+00 -0.119836D+01 -0.967491D+00  0.116474D+01  0.458626D+00
      3  -0.112413D+01  0.401781D+00  0.116474D+01 -0.159048D+01 -0.184078D+01
               251           252           253           254           255 
      1   0.458626D+00 -0.184078D+01  0.835866D+01 -0.746259D+00 -0.189318D+01
      2   0.155179D+01 -0.142493D+01 -0.746259D+00 -0.336372D+01 -0.106750D+01
      3  -0.142493D+01  0.523609D+01 -0.189318D+01 -0.106750D+01 -0.155726D+01
               256           257           258           259           260 
      1  -0.426008D+01 -0.296747D+01 -0.144774D+01 -0.705662D+01 -0.183690D+01
      2  -0.296747D+01  0.523179D+01 -0.293753D+00 -0.183690D+01 -0.179305D+01
      3  -0.144774D+01 -0.293753D+00 -0.241792D+01 -0.215776D+01 -0.249487D+01
               261           262           263           264           265 
      1  -0.215776D+01 -0.131133D+01  0.171126D+01 -0.711495D+00  0.272143D+01
      2  -0.249487D+01  0.171126D+01 -0.194827D+01  0.533404D+00 -0.393245D+01
      3   0.276371D+01 -0.711495D+00  0.533404D+00 -0.513985D+00  0.103542D+01
               266           267           268           269           270 
      1  -0.393245D+01  0.103542D+01 -0.150567D-01 -0.271511D+00 -0.384868D+00
      2   0.933841D+01 -0.201122D+01 -0.271511D+00  0.448779D+00  0.666880D+00
      3  -0.201122D+01  0.170669D+01 -0.384868D+00  0.666880D+00 -0.819771D+00
               271           272           273           274           275 
      1  -0.432326D+00  0.405005D+00 -0.492436D+00  0.140984D+01  0.288225D+00
      2   0.405005D+00  0.531887D+00  0.216808D+00  0.288225D+00  0.293231D+00
      3  -0.492436D+00  0.216808D+00  0.423564D+00  0.389170D+00 -0.648863D+00
               276           277           278           279           280 
      1   0.389170D+00 -0.177213D+01 -0.204204D+00 -0.719040D+00 -0.155908D+02
      2  -0.648863D+00 -0.204204D+00 -0.120465D+01  0.337760D+00 -0.189163D+01
      3   0.131928D+01 -0.719040D+00  0.337760D+00 -0.608125D+01 -0.335347D+00
               281           282           283           284           285 
      1  -0.189163D+01 -0.335347D+00  0.762610D+00 -0.120550D+01  0.154935D+00
      2  -0.133454D+01 -0.186844D+00 -0.120550D+01 -0.650448D+00  0.875075D-01
      3  -0.186844D+00 -0.102888D+01  0.154935D+00  0.875075D-01  0.340693D+00
               286           287           288           289           290 
      1   0.209717D+01  0.487759D+00 -0.106406D+01 -0.186099D-01 -0.812900D+00
      2   0.487759D+00  0.545942D+00  0.100153D+00 -0.812900D+00  0.207723D+01
      3  -0.106406D+01  0.100153D+00  0.331822D-01  0.226532D+00  0.409501D+00
               291           292           293           294           295 
      1   0.226532D+00 -0.159883D+01 -0.410452D+00 -0.117607D+00  0.969493D+00
      2   0.409501D+00 -0.410452D+00 -0.940104D+01 -0.102766D+01  0.309904D+00
      3   0.469095D+00 -0.117607D+00 -0.102766D+01 -0.104082D+01  0.129003D+00
               296           297 
      1   0.309904D+00  0.129003D+00
      2   0.524355D+00 -0.779733D+00
      3  -0.779733D+00 -0.398105D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319960D+00 -0.227438D+01  0.759677D+00 -0.726675D+01 -0.243342D+01
      2   0.413821D+01 -0.267646D+01  0.944192D+01 -0.305099D+01  0.210013D+01
      3   0.223997D+02 -0.297543D+01  0.303657D+01  0.748856D+01 -0.202921D+01
                 6             7             8             9            10 
      1  -0.210409D+01 -0.220357D+01  0.167778D+01 -0.461638D+00  0.307537D-01
      2  -0.337981D+01 -0.370741D+01 -0.130655D+01  0.290397D+01  0.145149D+01
      3   0.216253D+01  0.169927D+02 -0.106598D+00  0.297085D+01 -0.370817D+02
                11            12            13            14            15 
      1   0.135135D+00  0.206144D+01  0.171170D+01  0.414175D+01 -0.906545D+01
      2   0.890166D+00 -0.439437D+01  0.588467D+01  0.236732D-01  0.426616D+00
      3  -0.656566D+00  0.757268D+00  0.115043D+02 -0.160415D+01 -0.179152D-01
                16            17            18            19            20 
      1  -0.292516D+01 -0.154123D+01 -0.401015D+01  0.910533D+00  0.149086D+01
      2  -0.282238D+02 -0.183212D+01 -0.259847D+01 -0.601019D+01 -0.112006D+01
      3  -0.266946D+01 -0.928673D+00 -0.233342D+01 -0.162994D+02 -0.243665D+00
                21            22            23            24            25 
      1  -0.151068D+01  0.590735D+01 -0.193422D+01 -0.330339D+01  0.403995D+01
      2   0.365472D+01 -0.461037D+01 -0.238841D+01  0.115331D+01  0.396412D+00
      3   0.280567D+01  0.571743D+01  0.206207D+01 -0.294134D+01  0.221076D+02
                26            27            28            29            30 
      1   0.134868D+01 -0.164391D+01 -0.896178D+00  0.193598D+01 -0.214054D+01
      2   0.948956D-01 -0.188873D+01  0.434915D+01  0.964310D+00 -0.367930D+01
      3  -0.215043D+01 -0.475176D+01  0.379263D+02 -0.124324D+01 -0.285117D+01
                31            32            33            34            35 
      1  -0.645322D+00  0.362073D+01 -0.984784D+01 -0.493168D+01 -0.787304D+00
      2   0.589926D+01  0.141795D+00  0.233153D+01 -0.300402D+02  0.479205D+01
      3   0.801603D+01  0.525939D+01  0.118983D+01 -0.878835D+01 -0.108300D+01
                36            37            38            39            40 
      1  -0.301626D+01 -0.104636D+01 -0.643301D+00 -0.168888D+01 -0.601579D+01
      2   0.335777D+00  0.282055D+01 -0.288305D+01  0.821207D+01 -0.393775D+01
      3   0.143980D+01 -0.180993D+02 -0.930709D+00  0.342839D+01  0.149333D+02
                41            42            43            44            45 
      1   0.195328D+01  0.928349D+00 -0.931371D+00  0.302691D+01  0.194327D+01
      2   0.169761D+01 -0.168148D+01 -0.591096D+01 -0.109808D+01  0.202325D+01
      3  -0.563035D+00  0.313171D+01 -0.135369D+02  0.425659D+01  0.245512D+01
                46            47            48            49            50 
      1   0.590499D-01  0.728386D+00  0.296619D+01  0.875650D+01  0.169586D+01
      2  -0.362789D+01 -0.201471D+01  0.425985D+01 -0.461061D+01 -0.165058D+01
      3   0.163106D+02 -0.172579D+01 -0.129217D+01  0.150109D+02  0.875426D+00
                51            52            53            54            55 
      1  -0.236740D+01  0.301381D+01  0.341764D+01  0.360176D+00 -0.207820D+01
      2   0.106074D+01 -0.474612D+00  0.157971D+01 -0.258368D+01 -0.452514D+01
      3  -0.469160D+01 -0.125588D+02 -0.171728D+01 -0.958821D+00  0.201750D+02
                56            57            58            59            60 
      1  -0.293353D+00 -0.694310D+00 -0.592601D+00 -0.552895D+01 -0.829727D+00
      2   0.357085D+00 -0.523536D+00 -0.198084D+01 -0.109629D+02  0.219430D+01
      3   0.991522D+01  0.363680D+00  0.387572D+02  0.130896D+00  0.641894D+01
                61            62            63            64            65 
      1  -0.449887D-01  0.401343D+01  0.433407D+01  0.259054D+01  0.122220D+01
      2  -0.220744D+02  0.820755D+00  0.207055D+02  0.374778D+01  0.145645D+01
      3   0.115196D+02  0.115505D+02  0.165406D+01 -0.210652D+02 -0.200731D+02
                66            67            68            69            70 
      1  -0.172484D+01 -0.750398D-01 -0.149186D+01 -0.208780D+01  0.452675D+00
      2   0.131791D+02  0.539802D+01  0.107629D+02 -0.446270D-02  0.130009D+02
      3  -0.178405D+01 -0.293805D+02  0.445522D+01 -0.904025D+01 -0.125824D+02
                71            72            73            74            75 
      1   0.465182D+01  0.462699D+01  0.158241D+01  0.207303D+01  0.474159D+01
      2   0.315575D+01 -0.336493D+02 -0.334867D+00 -0.407106D+01 -0.475022D+01
      3  -0.132945D+02 -0.235288D+01  0.266859D+02  0.373257D+01  0.108032D+01
                76            77            78            79            80 
      1   0.323630D+01  0.936426D+01  0.152101D+01  0.691174D+01  0.826600D+01
      2  -0.529267D+01 -0.108338D+02 -0.382654D+01 -0.118064D+02 -0.656427D+01
      3   0.106940D+02 -0.571495D+01  0.850239D+01  0.190698D+01  0.120645D+02
                81            82            83            84            85 
      1  -0.116309D+02 -0.379058D+00 -0.535551D+00  0.367613D+00 -0.442893D+00
      2   0.180477D+02 -0.532312D+01 -0.223019D+01 -0.152180D+02 -0.401923D+01
      3   0.286182D+01  0.856997D+01  0.187331D+02  0.284869D+01  0.388071D+02
                86            87            88            89            90 
      1   0.134758D+01 -0.253368D+01  0.816416D+00  0.749080D+00 -0.129283D+01
      2  -0.214203D+02 -0.515305D+00 -0.308952D+02 -0.105704D+01  0.256548D+02
      3  -0.124870D+02  0.224502D+02  0.514621D+01  0.226019D+02  0.139500D+01
                91            92            93            94            95 
      1   0.193233D+01 -0.123489D+01  0.157844D+01  0.851472D+00 -0.173207D+01
      2  -0.122683D+02  0.360014D+00 -0.140964D+01 -0.585222D+00 -0.474915D+01
      3  -0.787133D+01  0.107097D+01 -0.573579D+00  0.395000D+02 -0.184627D+02
                96            97            98            99           100 
      1  -0.191662D+01  0.140348D+01  0.578282D+01 -0.270893D+00  0.162273D+01
      2  -0.102016D+02 -0.179286D+02 -0.101648D+02  0.117316D+02  0.535195D+01
      3  -0.140405D+01  0.304183D+01 -0.109853D+01  0.710137D+01  0.157478D+02
               101           102           103           104           105 
      1   0.193956D+01 -0.420185D+01  0.782342D+00 -0.164680D+01  0.182903D+01
      2  -0.378575D+01  0.683910D+01 -0.151321D+01  0.566721D+01  0.188139D+02
      3  -0.152419D+02  0.198573D+01 -0.569917D+01  0.165379D+01 -0.447869D+01
               106           107           108           109           110 
      1  -0.328489D+01 -0.301187D+01  0.454133D+01 -0.369541D+01 -0.248795D+01
      2  -0.241378D+01  0.139173D+02  0.931401D+01 -0.817263D+01  0.218730D+01
      3   0.151715D+02 -0.158155D+02 -0.108362D+02 -0.597559D+00 -0.124551D+01
               111           112           113           114           115 
      1   0.243450D+01 -0.219312D+01  0.445887D+01 -0.658988D+01  0.550284D+00
      2   0.512134D+01 -0.209116D+01 -0.106548D+02 -0.147394D+02  0.263498D+01
      3  -0.369318D+00 -0.755397D+01  0.198017D+02  0.127227D+02 -0.173193D+02
               116           117           118           119           120 
      1   0.764879D+01 -0.100173D+02  0.291498D+01 -0.105504D+00  0.444156D+00
      2  -0.126972D+02 -0.318936D+02  0.392583D+01  0.734035D+00  0.197370D+01
      3   0.201097D+02  0.131330D+02 -0.455616D+01  0.551524D+01 -0.291689D+01
               121           122           123           124           125 
      1   0.216131D+00  0.329987D+01 -0.121407D+01 -0.152581D+01  0.679359D+01
      2   0.285501D+01  0.154580D+01 -0.886161D+00 -0.428914D+00 -0.424677D+01
      3   0.931165D+01 -0.212223D+02 -0.837301D+00  0.330844D+01 -0.497580D+01
               126           127           128           129           130 
      1   0.723785D+01 -0.196565D+01 -0.205575D+01  0.108757D+01 -0.213825D+00
      2   0.153790D+02  0.456787D+01  0.923627D+00 -0.107297D+01  0.366604D+00
      3   0.549220D+01 -0.307696D+00 -0.105332D+01  0.953231D+00  0.973543D+00
               131           132           133           134           135 
      1  -0.132849D+01 -0.485800D-01  0.285526D+01  0.519930D+01 -0.490407D+01
      2  -0.761149D-01  0.553248D+00 -0.472079D+01 -0.316772D+00 -0.177005D+01
      3  -0.544077D+00  0.449653D+00  0.116325D+01  0.220687D+01 -0.181937D+01
               136           137           138           139           140 
      1  -0.207472D+01  0.289176D+01 -0.767669D+00  0.114944D+01 -0.127057D+01
      2  -0.769395D+01  0.131342D+01 -0.144546D+01  0.166743D+01 -0.462813D+00
      3   0.140979D+00 -0.136577D+01  0.579391D+00  0.394877D+00  0.130839D+01
               141           142           143           144           145 
      1  -0.605864D+00 -0.196212D+01  0.405118D+01 -0.291425D+01  0.182242D+01
      2   0.131758D+00 -0.448875D+01  0.442989D+00  0.777151D+00  0.432058D+01
      3  -0.119602D+00  0.509822D+00 -0.227194D+01  0.153700D+01  0.263457D+01
               146           147           148           149           150 
      1  -0.917505D+00 -0.225490D+01  0.108559D+01 -0.150326D-01 -0.341113D+01
      2   0.496447D+00 -0.101410D+01  0.851718D+00 -0.192420D+00  0.503935D+00
      3   0.143401D-01 -0.192743D+01  0.149387D+01 -0.362701D+00 -0.533578D+00
               151           152           153           154           155 
      1  -0.183881D+01  0.209130D+01  0.580774D+01  0.263354D+01  0.126770D+01
      2  -0.414678D+01 -0.360585D+00 -0.101816D+01 -0.538509D+01  0.200302D+00
      3  -0.242996D+01  0.100737D+01  0.173055D+01 -0.496378D+01 -0.795076D+00
               156           157           158           159           160 
      1   0.233820D+01 -0.153949D+01  0.165555D+00 -0.357656D+01  0.254767D+01
      2  -0.337240D+00  0.104657D+01  0.184791D+00 -0.801475D+00 -0.282856D+01
      3  -0.235066D+01  0.390249D+01  0.601022D+00  0.736968D+00 -0.308875D+01
               161           162           163           164           165 
      1   0.144117D+01  0.439128D+01 -0.131924D+01 -0.613389D+00  0.115882D+01
      2  -0.257819D+00  0.217787D+01 -0.532763D+01  0.734577D+00  0.562123D+01
      3  -0.125449D+01 -0.197729D+01 -0.184098D+01 -0.357174D+01  0.603641D+00
               166           167           168           169           170 
      1   0.189887D+00 -0.337264D+00 -0.939074D+00  0.216763D+01  0.213691D+01
      2   0.672785D+00 -0.125207D+01  0.419019D+00  0.259830D+01 -0.409748D+01
      3  -0.358693D+01  0.278292D+00  0.182038D+01  0.316558D+01  0.409100D+01
               171           172           173           174           175 
      1  -0.616548D+01  0.917589D+00 -0.994888D+00  0.137839D+01 -0.153149D+01
      2  -0.205513D+02  0.518832D+01 -0.155864D+01  0.318948D+01 -0.283849D+01
      3   0.346423D+00  0.897311D+00 -0.720236D+01 -0.222573D+00 -0.449402D+01
               176           177           178           179           180 
      1   0.332983D+01 -0.330590D+01  0.166307D+01 -0.121586D+01  0.120249D+01
      2   0.596656D+01 -0.370306D+01  0.389733D+01 -0.430987D+01  0.946386D+00
      3   0.179954D+02 -0.215603D+01 -0.402284D+01 -0.683489D+01  0.198389D+01
               181           182           183           184           185 
      1  -0.269457D+01 -0.163234D+01  0.872971D+00 -0.119970D+01 -0.350948D+00
      2   0.816220D+01  0.700123D+00 -0.490010D+01  0.215185D+01  0.366503D+01
      3   0.258142D+01  0.275439D+01  0.480379D+00  0.552599D+01 -0.712858D+00
               186           187           188           189           190 
      1  -0.537933D+00  0.157449D+01  0.338999D+01 -0.415365D+01  0.746220D+00
      2  -0.564469D+00 -0.862896D+01 -0.837237D+00  0.302666D+02 -0.204267D+01
      3  -0.269881D+01  0.246352D+00 -0.373712D+01 -0.542243D+00 -0.264349D+02
               191           192           193           194           195 
      1   0.625130D+00  0.218814D+01  0.587089D-01 -0.862278D+00 -0.103562D+01
      2   0.517007D+00 -0.297467D+00  0.337481D+00  0.807437D+00  0.212744D+00
      3   0.642598D+01  0.365908D+00  0.650856D+01 -0.395058D+01 -0.116424D+01
               196           197           198           199           200 
      1   0.236887D+01  0.641767D+00  0.701451D+00  0.239486D+01 -0.209742D-01
      2  -0.347728D+01  0.111803D+01 -0.108797D+01 -0.337429D+01 -0.119187D+01
      3   0.640518D+00 -0.225429D+01 -0.281093D+01 -0.237116D+01 -0.344232D+01
               201           202           203           204           205 
      1  -0.299218D+01  0.270659D+00  0.124757D+01 -0.209812D+01 -0.305464D+01
      2   0.505654D+01 -0.388083D+00 -0.210272D+01  0.123871D+01  0.944530D+00
      3  -0.367948D+00 -0.569242D+00 -0.152872D+01  0.209449D+01 -0.207307D+01
               206           207           208           209           210 
      1  -0.193329D+00  0.150250D+02 -0.257489D+01 -0.210468D+01 -0.366876D+01
      2   0.604891D+01 -0.223559D+02  0.343011D+01  0.293826D+01  0.442830D+01
      3   0.685775D+01 -0.495404D+01 -0.490774D+01 -0.915162D+01 -0.619971D+00
               211           212           213           214           215 
      1  -0.347897D+01 -0.569238D+01 -0.577766D+01 -0.353025D+01 -0.343497D+01
      2   0.318631D+01  0.755410D+01  0.579008D+01  0.358499D+01  0.680615D+01
      3  -0.355792D+01 -0.193409D+02 -0.498030D+01 -0.978821D+00 -0.104276D+02
               216           217           218           219           220 
      1  -0.345672D+01  0.377328D+00 -0.380798D+00 -0.124895D+00  0.194090D+00
      2   0.417444D+01 -0.978757D+01  0.262093D+00  0.112544D+02  0.105590D-01
      3  -0.447957D+01 -0.416652D+00 -0.433765D+01 -0.406271D+00 -0.504005D+01
               221           222           223           224           225 
      1   0.666460D-01 -0.852682D+00 -0.778620D+00  0.245703D+01  0.112843D+01
      2  -0.250799D+01  0.333406D+00  0.162673D+02 -0.276741D+00 -0.353303D+02
      3   0.100219D+01  0.211214D+01 -0.933107D+00  0.594857D+01  0.756535D-01
               226           227           228           229           230 
      1  -0.886060D+00  0.833718D+00  0.348030D+00  0.984377D+00 -0.284489D+01
      2   0.444554D+01 -0.249890D+01  0.529317D+01 -0.418353D+01  0.107759D+02
      3   0.959592D+01 -0.109154D+02  0.312628D+01 -0.152599D+02  0.328058D+02
               231           232           233           234           235 
      1  -0.137881D+01 -0.367490D+00  0.201336D+01  0.762026D-01  0.396545D+00
      2  -0.958427D+01  0.712341D+01 -0.743909D+01  0.614227D+01  0.794415D+01
      3  -0.113313D+02  0.470113D+01 -0.129183D+02  0.728499D+01 -0.123058D+02
               236           237           238           239           240 
      1   0.890409D+00 -0.881499D+00  0.460610D+00  0.138715D+01 -0.148821D+01
      2   0.425993D+01  0.903262D+01  0.691866D+01  0.961866D+01  0.975537D+01
      3  -0.128155D+02 -0.494909D+01 -0.174655D+02 -0.209574D+02 -0.104367D+02
               241           242           243           244           245 
      1  -0.642208D+00  0.157958D+01 -0.655732D+00  0.114435D+00 -0.389085D+00
      2   0.114699D+02  0.733345D+01  0.872073D+01 -0.518356D+01 -0.549135D+00
      3  -0.727906D+01 -0.123171D+02 -0.741576D+01 -0.312767D+01 -0.228839D+01
               246           247           248           249           250 
      1  -0.667665D+00 -0.172327D+00  0.258051D+00 -0.177414D+01 -0.507580D+00
      2   0.381328D+01 -0.187219D+00 -0.299982D+01  0.557931D+01  0.126807D+01
      3   0.872930D-01 -0.114678D+01 -0.227415D+01  0.316414D+01 -0.694774D+00
               251           252           253           254           255 
      1   0.208094D+01  0.268970D+01 -0.187172D+01  0.842389D+00 -0.239057D+01
      2   0.459594D+01 -0.167742D+02  0.188339D+02  0.505245D+01  0.848227D+01
      3   0.461713D+01 -0.349388D+01 -0.159030D+02 -0.134066D+02 -0.947347D+00
               256           257           258           259           260 
      1  -0.135931D+01 -0.591003D+01 -0.603348D+01 -0.123407D+01 -0.119144D+01
      2   0.486019D+01 -0.673881D+00  0.867334D+01  0.610971D+01  0.970171D+01
      3  -0.458158D+01  0.248171D+02  0.157686D+01  0.795550D+00 -0.215525D+01
               261           262           263           264           265 
      1   0.814003D+01  0.290754D-01  0.489473D+00  0.975844D+00  0.593017D+00
      2  -0.155276D+02  0.156629D+01 -0.115173D+01  0.186293D+01 -0.224019D+01
      3  -0.694148D+01  0.362226D+01 -0.480022D+01  0.171039D+01 -0.879068D+01
               266           267           268           269           270 
      1  -0.336172D+01 -0.358608D+01 -0.444506D+00  0.528879D+00 -0.343775D+00
      2   0.566732D+01 -0.622486D+01  0.538908D+00 -0.172277D+01  0.229351D+01
      3   0.305623D+02 -0.647564D+01 -0.704291D+00  0.172550D+01  0.210667D+01
               271           272           273           274           275 
      1  -0.189747D+01 -0.755190D+00  0.468162D+00 -0.124021D+00 -0.265102D+01
      2   0.454313D+01  0.177036D+00 -0.227598D+01  0.126488D+01  0.338953D+01
      3   0.219741D+01  0.107464D+01  0.101593D+01  0.695538D+00  0.107036D+01
               276           277           278           279           280 
      1   0.217087D+01 -0.269680D+00  0.462536D+01 -0.105567D+02  0.854439D+00
      2  -0.568631D+01 -0.223790D+01 -0.247401D+01  0.244690D+02 -0.913948D+01
      3  -0.283867D+01  0.117543D+01 -0.440514D+01  0.283780D+01  0.148058D+02
               281           282           283           284           285 
      1   0.744535D+00 -0.194504D+01  0.103256D+01  0.552604D+00  0.585348D-01
      2  -0.251940D+00  0.761579D+01 -0.910795D+00 -0.107476D+01 -0.116918D+01
      3  -0.606565D+01 -0.704095D+00 -0.449738D+01 -0.898359D+00  0.276373D+00
               286           287           288           289           290 
      1  -0.189978D+01  0.865898D+00 -0.142950D+00  0.112977D+01 -0.670750D+00
      2   0.429973D+01 -0.693114D+00 -0.364419D+00 -0.809561D+00 -0.208063D+01
      3  -0.117703D+01  0.160527D+01  0.204579D+01 -0.485190D+01  0.763424D+01
               291           292           293           294           295 
      1   0.148457D+01 -0.411150D+00  0.604181D+01 -0.361743D+01  0.722878D+00
      2  -0.159398D+01 -0.931628D+00  0.443415D+01  0.379710D+01 -0.165905D+01
      3   0.594901D+00  0.434618D+01 -0.333155D+02 -0.288294D+01 -0.755446D+00
               296           297 
      1  -0.426352D+00 -0.109945D+00
      2   0.263409D+01  0.154973D+01
      3   0.110378D+01 -0.278436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194712D+01 -0.866368D+01  0.202347D+02  0.183808D+02 -0.329800D+01
      2   0.604793D+01  0.409637D+01 -0.753419D+01 -0.439416D+01  0.404334D+01
      3  -0.410081D+01  0.456731D+01 -0.127006D+02 -0.139867D+02 -0.745340D+00
      4  -0.382172D+01  0.371860D+01 -0.534563D+00  0.921313D+01  0.442420D+01
      5   0.160188D+02  0.123295D+01 -0.792966D+01 -0.423491D+01 -0.272630D+01
      6   0.175348D+01 -0.322329D+01 -0.580016D+00 -0.124483D+01  0.408948D+01
                 6             7             8             9            10 
      1  -0.166555D+02 -0.253597D+02 -0.103366D+02  0.571729D+01  0.583160D+02
      2   0.122889D+01  0.320827D+01  0.206941D+01  0.441339D+01 -0.224682D+02
      3   0.154266D+02  0.221514D+02  0.826722D+01 -0.101307D+02 -0.358479D+02
      4  -0.396040D+01  0.256028D+01 -0.193540D+01 -0.539474D+01 -0.111005D+02
      5  -0.479986D+01  0.730220D+01 -0.464658D+01  0.683174D+01 -0.206016D+01
      6   0.121471D+02 -0.652463D+01  0.461532D+01  0.137014D+02  0.823680D+00
                11            12            13            14            15 
      1   0.766774D+01 -0.502134D+00  0.109838D+02 -0.591401D+00  0.610304D+01
      2  -0.613479D+01  0.297688D+01 -0.112995D+02  0.720536D+01 -0.569445D+00
      3  -0.153295D+01 -0.247475D+01  0.315643D+00 -0.661396D+01 -0.553359D+01
      4   0.143910D+01 -0.374254D+01  0.177947D+02 -0.518034D+01 -0.154433D+01
      5  -0.426385D+01  0.748947D+01  0.100971D+02 -0.744119D+00 -0.210104D+01
      6   0.519666D+00 -0.591788D+01 -0.494638D+01  0.373551D+01  0.761907D+01
                16            17            18            19            20 
      1  -0.971606D+01  0.724509D+01 -0.181879D+02 -0.239542D+01  0.576405D+01
      2   0.162962D+00  0.342590D+01  0.169379D+01 -0.425203D+00 -0.289954D+01
      3   0.955310D+01 -0.106710D+02  0.164942D+02  0.282063D+01 -0.286451D+01
      4   0.148832D+02  0.414425D+00 -0.715854D+00  0.474780D+01 -0.139348D+01
      5  -0.133375D+02 -0.182865D+01 -0.349379D+01 -0.140369D+02  0.215965D+01
      6  -0.481254D+01  0.233588D+01 -0.447465D+01  0.138389D+01  0.440947D+01
                21            22            23            24            25 
      1  -0.247742D+02 -0.118785D+02 -0.421087D+01 -0.713590D+01  0.257724D+02
      2   0.656038D+01 -0.145456D+01  0.558576D+01  0.356757D+00 -0.201749D+01
      3   0.182138D+02  0.133331D+02 -0.137489D+01  0.677915D+01 -0.237549D+02
      4   0.225623D+01  0.515953D+01 -0.192839D+01  0.378769D+01  0.302050D+01
      5  -0.375382D+01  0.767067D+00  0.235385D+01  0.752998D+01  0.827582D+01
      6   0.521300D+01  0.164840D+01  0.315334D+01  0.801920D+01  0.116773D+02
                26            27            28            29            30 
      1  -0.891876D+01  0.750169D+01  0.253350D+02 -0.432438D+01  0.244923D+01
      2   0.212245D+01 -0.120140D+01 -0.798670D+01  0.638885D+01  0.510147D+00
      3   0.679631D+01 -0.630029D+01 -0.173483D+02 -0.206447D+01 -0.295938D+01
      4   0.448512D+01  0.721553D+01  0.164845D+02  0.336474D+01 -0.164324D+01
      5   0.599695D+01 -0.489121D+01  0.163428D+01 -0.101974D+01  0.881462D+01
      6   0.193921D+01  0.105564D+02  0.575836D+01 -0.981153D+00  0.521814D+01
                31            32            33            34            35 
      1  -0.439956D+01 -0.996319D+00  0.865949D+01 -0.905834D+01  0.951756D+01
      2   0.928887D+01  0.531755D+01 -0.249290D+01  0.281706D+01  0.175674D+01
      3  -0.488931D+01 -0.432123D+01 -0.616659D+01  0.624128D+01 -0.112743D+02
      4   0.168376D+02  0.564403D+00  0.157479D+01  0.112857D+02  0.553677D+01
      5   0.137635D+02 -0.334339D+00  0.173927D+01 -0.160902D+02  0.420454D+01
      6  -0.168674D+01  0.336077D+01  0.645767D+01 -0.719295D+00  0.196072D+01
                36            37            38            39            40 
      1  -0.204376D+02  0.915559D+01 -0.107535D+02  0.226838D+02  0.513502D+01
      2   0.373896D+01  0.419582D+00  0.911445D+01 -0.116799D+02  0.377179D+01
      3   0.166987D+02 -0.957518D+01  0.163903D+01 -0.110040D+02 -0.890681D+01
      4   0.195627D+01 -0.809664D+01 -0.415824D+00  0.337978D+01  0.150763D+02
      5  -0.899381D+00  0.152722D+02  0.170595D+01 -0.964154D+01  0.734931D+00
      6  -0.636893D+01 -0.164622D+01 -0.482619D+01  0.507113D+01 -0.196620D+00
                41            42            43            44            45 
      1  -0.115236D+02 -0.572402D+01 -0.214459D+02 -0.403219D+01  0.102845D+02
      2   0.167526D+02 -0.102978D+02  0.268396D+01 -0.276994D+01 -0.156522D+01
      3  -0.522901D+01  0.160218D+02  0.187620D+02  0.680213D+01 -0.871931D+01
      4   0.705139D+01 -0.285482D+01 -0.139765D+01 -0.291368D+01 -0.686439D+01
      5  -0.173615D+01 -0.296461D+01  0.104681D+02 -0.718956D+01  0.754927D+01
      6  -0.649238D+01  0.620434D+01 -0.119038D+02  0.511577D+00  0.863462D+01
                46            47            48            49            50 
      1  -0.915206D+01  0.887651D+01 -0.242832D+02 -0.623467D+01 -0.156974D+02
      2   0.357553D+01 -0.730095D+01  0.851383D+01 -0.543104D+01  0.210766D+02
      3   0.557654D+01 -0.157556D+01  0.157693D+02  0.116657D+02 -0.537920D+01
      4   0.837923D+01  0.100745D+00  0.579846D+01  0.459888D+01 -0.670358D+01
      5  -0.155711D+02  0.537347D+01 -0.350128D+01  0.582716D+01  0.251148D+01
      6   0.449497D+01  0.461876D+01 -0.436072D+01  0.274142D+00 -0.600512D+01
                51            52            53            54            55 
      1   0.270270D+01  0.388604D+02 -0.405185D+01  0.903131D+01 -0.463501D+02
      2  -0.106849D+02 -0.999446D+01 -0.405840D+00 -0.410555D+01  0.154696D+02
      3   0.798215D+01 -0.288659D+02  0.445769D+01 -0.492577D+01  0.308805D+02
      4   0.202876D+01 -0.336522D+01 -0.166393D+00  0.690030D+01  0.363922D+01
      5   0.601355D+01  0.409794D+01  0.687677D+01 -0.787785D+01 -0.349418D+01
      6   0.389338D+01  0.112336D+02 -0.293848D+01  0.768798D+01  0.213834D+01
                56            57            58            59            60 
      1  -0.897131D+01 -0.289988D+01 -0.437727D+02 -0.309533D+02 -0.446509D+01
      2   0.670963D+01 -0.197129D+01  0.297191D+02  0.423564D+01  0.506783D+01
      3   0.226168D+01  0.487117D+01  0.140536D+02  0.267177D+02 -0.602743D+00
      4  -0.247166D+02  0.384488D-01 -0.539348D+02  0.259965D+02 -0.128971D+02
      5  -0.345797D+00 -0.109551D+02 -0.492114D+01 -0.135131D+02  0.179109D+01
      6   0.284870D+00  0.184381D+01 -0.168199D+01  0.466188D+01 -0.483215D+00
                61            62            63            64            65 
      1  -0.319917D+02 -0.752626D+01 -0.810183D+01 -0.467407D+02  0.138705D+02
      2   0.519480D+01  0.699330D+01  0.118621D+02  0.308924D+02 -0.230724D+01
      3   0.267969D+02  0.532959D+00 -0.376030D+01  0.158483D+02 -0.115632D+02
      4  -0.485976D+01 -0.219238D+02  0.781943D+01  0.150664D+02  0.288935D+02
      5  -0.259621D+02  0.500167D+01  0.386186D+02 -0.264585D+01  0.306722D+01
      6   0.407139D+01 -0.220039D+01 -0.647561D+01  0.706951D+00 -0.224568D+01
                66            67            68            69            70 
      1  -0.402456D+01  0.577448D+02  0.501203D+02 -0.956760D-01  0.203539D+02
      2  -0.895727D+00 -0.245132D+02 -0.263456D+02  0.208626D+01 -0.764538D+01
      3   0.492028D+01 -0.332316D+02 -0.237747D+02 -0.199058D+01 -0.127085D+02
      4   0.243600D+01  0.488275D+02 -0.120717D+02  0.164833D+02  0.674432D+01
      5   0.183979D+02  0.840206D+01  0.190982D+02  0.206816D+01  0.356072D+02
      6   0.331742D+01  0.340828D+01  0.445632D+01 -0.432969D+00  0.297721D+01
                71            72            73            74            75 
      1   0.208187D+01  0.348812D+02  0.528173D+02 -0.675001D+01 -0.626573D+01
      2   0.350087D+01 -0.901189D+01 -0.365286D+02 -0.779488D+01 -0.974424D+00
      3  -0.558274D+01 -0.258693D+02 -0.162887D+02  0.145449D+02  0.724015D+01
      4   0.206106D+02  0.457965D+01 -0.333958D+01 -0.303958D+02 -0.740900D+01
      5   0.371858D+01 -0.553622D+02 -0.584339D+01 -0.564475D+01 -0.128506D+02
      6   0.434235D+01 -0.713322D+01 -0.646704D+01 -0.231936D+01 -0.921057D+01
                76            77            78            79            80 
      1  -0.111449D+02 -0.310214D+02  0.368589D+01 -0.112823D+02  0.294059D+01
      2  -0.723106D+01  0.106756D+02 -0.122014D+02 -0.230429D+01 -0.156149D+02
      3   0.183759D+02  0.203458D+02  0.851547D+01  0.135866D+02  0.126743D+02
      4  -0.360311D+02 -0.152527D+02 -0.212611D+02 -0.850754D+01 -0.306742D+02
      5  -0.644336D+01 -0.209570D+02 -0.770694D+01 -0.210396D+02 -0.141942D+02
      6  -0.560422D+01 -0.169110D+02 -0.376215D+01 -0.109264D+02 -0.859609D+01
                81            82            83            84            85 
      1  -0.912045D+01  0.581887D+02 -0.165733D+02 -0.325504D+01 -0.309078D+02
      2   0.850507D+01 -0.313686D+02  0.739154D+01  0.183429D+00  0.139344D+02
      3   0.615380D+00 -0.268200D+02  0.918176D+01  0.307161D+01  0.169734D+02
      4  -0.192117D+02 -0.198862D+02 -0.395191D+02 -0.586642D+01 -0.627848D+02
      5   0.397341D+02 -0.682588D+01 -0.642298D+01 -0.329960D+02 -0.111487D+02
      6   0.196255D+02 -0.181236D+01 -0.526532D+01 -0.232737D+01 -0.100045D+02
                86            87            88            89            90 
      1  -0.546600D+02 -0.625861D+01 -0.138691D+02 -0.611375D+01 -0.453534D+02
      2   0.268929D+02  0.196506D+01  0.338807D+01  0.171101D+01  0.246703D+02
      3   0.277671D+02  0.429354D+01  0.104810D+02  0.440275D+01  0.206831D+02
      4   0.202564D+02 -0.424720D+02 -0.105407D+02 -0.415690D+02 -0.423227D+01
      5  -0.459780D+02 -0.307873D+01 -0.538351D+02 -0.300417D+01  0.475554D+02
      6   0.150052D+00 -0.554999D+01 -0.377671D+01 -0.585932D+01  0.159485D+01
                91            92            93            94            95 
      1   0.254571D+01 -0.178323D+01 -0.666502D+01 -0.129460D+01 -0.199324D+02
      2  -0.488253D+01 -0.180272D+01  0.120514D+01  0.554470D+01  0.929733D+01
      3   0.233682D+01  0.358596D+01  0.545988D+01 -0.425011D+01  0.106351D+02
      4  -0.149763D+02 -0.170109D+02 -0.432143D+01 -0.443161D+02  0.189331D+02
      5  -0.178661D+02 -0.264921D+01 -0.110256D+02 -0.131121D+02 -0.655497D+01
      6  -0.111431D+01 -0.624155D+01 -0.696461D+01 -0.169696D+01  0.254869D+01
                96            97            98            99           100 
      1  -0.782192D+01 -0.177235D+02 -0.899779D+01 -0.452688D+01  0.500151D+01
      2   0.392444D+01  0.289892D+01 -0.380465D+00  0.592050D+01 -0.105391D+01
      3   0.389748D+01  0.148245D+02  0.937826D+01 -0.139362D+01 -0.394760D+01
      4  -0.648427D+01 -0.217948D+02 -0.709983D+01 -0.233482D+02  0.109703D+02
      5  -0.199766D+02 -0.210570D+02 -0.221218D+02  0.223435D+02  0.142279D+02
      6  -0.401414D+01 -0.103073D+02 -0.563649D+01  0.816735D+01 -0.680293D+01
               101           102           103           104           105 
      1   0.307118D+01  0.500695D+01  0.176466D+02  0.616893D+01  0.631314D+00
      2  -0.100471D+01 -0.345841D+01 -0.164390D+02  0.995921D+00  0.432012D+01
      3  -0.206647D+01 -0.154854D+01 -0.120753D+01 -0.716485D+01 -0.495144D+01
      4   0.190574D+01 -0.480957D+01  0.149851D+01 -0.141652D+02  0.104612D+02
      5  -0.629863D+01 -0.553179D+01 -0.141461D+02  0.127740D+02  0.364841D+02
      6   0.483983D+01  0.794573D+01  0.689212D+01 -0.117376D+02 -0.191621D+02
               106           107           108           109           110 
      1   0.189911D+02 -0.249707D+01 -0.113500D+01  0.227495D+02 -0.147788D+02
      2  -0.127867D+01 -0.884124D+01  0.431966D+01 -0.135271D+02  0.675103D+01
      3  -0.177124D+02  0.113383D+02 -0.318466D+01 -0.922243D+01  0.802776D+01
      4  -0.169176D+02  0.327035D+02  0.264334D+02 -0.208940D+02  0.178416D+02
      5  -0.234464D+02  0.275656D+02  0.186760D+02 -0.311207D+02  0.964918D+01
      6   0.151367D+02 -0.228703D+02 -0.124235D+02  0.117571D+02 -0.327134D+01
               111           112           113           114           115 
      1  -0.231512D+02 -0.175962D+02 -0.555100D+01 -0.570156D+01 -0.333044D+02
      2   0.150808D+02  0.577441D+01  0.149966D+02  0.337473D+01  0.186805D+02
      3   0.807044D+01  0.118218D+02 -0.944564D+01  0.232683D+01  0.146239D+02
      4   0.124334D+02  0.302339D+02 -0.337569D+02 -0.249032D+02  0.291332D+02
      5   0.228335D+02  0.202389D+02 -0.273555D+02 -0.303892D+02  0.411897D+02
      6  -0.541856D+01 -0.927824D+01  0.244245D+02  0.264927D+02 -0.164632D+02
               116           117           118           119           120 
      1  -0.248258D+01 -0.370429D+01  0.876299D+01 -0.418897D+01  0.123179D+02
      2   0.620459D+01 -0.163649D+02 -0.796556D+01  0.914787D+01 -0.852055D+01
      3  -0.372202D+01  0.200692D+02 -0.797430D+00 -0.495890D+01 -0.379734D+01
      4  -0.365065D+02 -0.275873D+02  0.131208D+01 -0.950858D+01 -0.237569D+01
      5  -0.309489D+02 -0.696025D+02  0.106239D+02  0.190346D+01  0.771897D+01
      6   0.282360D+02  0.361521D+02 -0.354049D+01 -0.234841D+01 -0.145077D+01
               121           122           123           124           125 
      1  -0.235881D+00 -0.574068D+01  0.409461D+01  0.197435D+02  0.134252D+01
      2   0.112555D+02 -0.173647D+02 -0.258414D+00 -0.115046D+02 -0.129621D+01
      3  -0.110196D+02  0.231053D+02 -0.383620D+01 -0.823887D+01 -0.463153D-01
      4  -0.209268D+02  0.515325D+02 -0.105495D+01 -0.860515D+01  0.802059D+01
      5   0.323040D+01 -0.140573D+01 -0.233857D+01  0.175676D+02 -0.112163D+02
      6  -0.500213D+01  0.421018D+01  0.712588D+01 -0.427192D+01  0.134590D+02
               126           127           128           129           130 
      1  -0.138066D+01 -0.938836D+00 -0.603898D-01  0.347336D+01 -0.282571D+01
      2  -0.772764D+01 -0.547625D+01 -0.127696D+01  0.571528D+01 -0.543241D+00
      3   0.910829D+01  0.641509D+01  0.133735D+01 -0.918864D+01  0.336896D+01
      4  -0.104840D+02  0.961817D+00  0.245335D+01 -0.774940D+00  0.124791D+01
      5   0.313946D+02 -0.985655D+01 -0.257509D+01  0.125889D+02 -0.280810D+01
      6  -0.170045D+02  0.353157D+00 -0.160008D+01 -0.584165D+00 -0.105408D+01
               131           132           133           134           135 
      1  -0.354903D+01  0.786452D+01  0.405330D+01  0.463727D+01 -0.247917D+02
      2  -0.538523D+00  0.316612D+01  0.704835D+01  0.216806D+01 -0.149798D+02
      3   0.408755D+01 -0.110306D+02 -0.111017D+02 -0.680533D+01  0.397714D+02
      4   0.121215D+01 -0.143748D+01 -0.171181D+01 -0.302973D+01  0.190250D+01
      5  -0.280824D+01  0.464228D+01  0.122579D+02  0.412234D+01 -0.199832D+02
      6  -0.294978D+01  0.249394D+01  0.909301D+00  0.534021D+01 -0.221172D+01
               136           137           138           139           140 
      1   0.301096D+01  0.290923D+00 -0.114431D+01  0.536691D+00 -0.170810D+01
      2  -0.580784D+01  0.894672D+00 -0.478982D+01  0.217976D+01 -0.514101D+00
      3   0.279688D+01 -0.118560D+01  0.593414D+01 -0.271646D+01  0.222221D+01
      4  -0.142911D+01  0.356826D+01 -0.105239D+01  0.253702D+01 -0.319608D+01
      5   0.122914D+02 -0.281085D+01  0.106814D+02 -0.440567D+01  0.316743D+01
      6  -0.596133D+00  0.172666D+01 -0.789444D+00  0.827823D+00 -0.278386D+01
               141           142           143           144           145 
      1   0.534575D+01 -0.386765D+01  0.393652D+01 -0.135197D+02 -0.285663D+01
      2   0.254195D+01 -0.598717D+01  0.132855D+01 -0.948337D+01 -0.265698D+01
      3  -0.788770D+01  0.985482D+01 -0.526507D+01  0.230030D+02  0.551361D+01
      4   0.127786D+01 -0.169373D+01  0.283028D+01 -0.241429D+01  0.573608D+01
      5  -0.647984D+01  0.133206D+02 -0.445578D+01  0.172466D+02 -0.926838D+01
      6   0.224970D+01 -0.181253D+01  0.469696D+01 -0.342773D+01 -0.602424D+01
               146           147           148           149           150 
      1  -0.185062D+01  0.557203D+01 -0.304758D+01 -0.500126D+01  0.876742D+01
      2   0.359767D+00  0.270464D+01 -0.313082D+00  0.129315D+01  0.136411D+00
      3   0.149085D+01 -0.827668D+01  0.336066D+01  0.370811D+01 -0.890383D+01
      4   0.374762D+01 -0.557617D+01  0.269281D+01  0.202253D+01 -0.311786D+01
      5  -0.372151D+01  0.120190D+02 -0.356872D+01 -0.292471D+01  0.433128D+01
      6  -0.361463D+01  0.653008D+01 -0.327227D+01 -0.566934D+01  0.902816D+01
               151           152           153           154           155 
      1   0.781445D+01  0.110634D+02 -0.297985D+02  0.231940D+01  0.249652D+01
      2   0.208914D+01 -0.284095D+01 -0.542472D+01 -0.334310D+01 -0.202571D+01
      3  -0.990359D+01 -0.822245D+01  0.352232D+02  0.102370D+01 -0.470814D+00
      4  -0.569373D+01 -0.535525D+01  0.822977D+01 -0.104142D+02  0.724648D+01
      5   0.108278D+02  0.549911D+01 -0.179022D+02  0.155602D+02 -0.598422D+01
      6   0.853930D+01  0.127444D+02 -0.236473D+02 -0.893933D+01  0.573534D+01
               156           157           158           159           160 
      1  -0.221415D+01  0.645549D+00 -0.401727D+01  0.551200D+01 -0.468391D+01
      2  -0.231814D+01  0.872649D+00  0.209349D+01 -0.185371D+00 -0.271078D+01
      3   0.453228D+01 -0.151820D+01  0.192378D+01 -0.532663D+01  0.739469D+01
      4  -0.830723D+01  0.485074D+01 -0.524758D+01  0.578242D+01 -0.872290D+01
      5   0.144334D+02 -0.750189D+01  0.504580D+01 -0.772721D+01  0.156108D+02
      6  -0.889295D+01  0.546455D+01 -0.622660D+01  0.863291D+01 -0.106741D+02
               161           162           163           164           165 
      1   0.840996D+01 -0.167151D+02  0.876534D+01  0.238018D+00 -0.759601D+01
      2  -0.344214D+01 -0.309856D+01 -0.825935D+01 -0.554864D+00  0.653741D+01
      3  -0.496782D+01  0.198137D+02 -0.505988D+00  0.316846D+00  0.105860D+01
      4   0.720827D+01 -0.108882D+02 -0.222300D+01  0.723888D+01  0.430630D+01
      5  -0.784638D+01  0.212938D+02 -0.141796D+02  0.286784D+01  0.152200D+02
      6   0.117661D+02 -0.191038D+02  0.234264D+01 -0.138837D+01 -0.233748D+01
               166           167           168           169           170 
      1   0.869560D+01  0.206608D+01 -0.180473D+01 -0.151831D+02 -0.299438D+01
      2  -0.534105D+01 -0.778852D+00  0.133304D+01  0.137747D+02  0.378883D+00
      3  -0.335454D+01 -0.128722D+01  0.471695D+00  0.140843D+01  0.261550D+01
      4   0.791686D+01 -0.401908D+01 -0.476894D+01  0.602394D+01 -0.856882D+01
      5  -0.283973D+00 -0.500019D+01  0.595783D+00  0.228044D+02 -0.868373D+01
      6  -0.176343D+01  0.155879D+01  0.532567D+01 -0.531625D+01  0.628592D+01
               171           172           173           174           175 
      1  -0.440276D+01  0.229777D+02 -0.913904D+01  0.406079D+01 -0.150409D+02
      2  -0.135641D+02 -0.467606D+01 -0.442868D+00 -0.921384D+00 -0.300751D+01
      3   0.179669D+02 -0.183016D+02  0.958191D+01 -0.313941D+01  0.180484D+02
      4  -0.114622D+02 -0.225375D+02  0.242893D+02 -0.201763D+01  0.366760D+02
      5  -0.448410D+02  0.542179D+01 -0.845755D+00  0.497229D+01 -0.187199D+01
      6   0.119531D+02 -0.146462D+01  0.116145D+00 -0.124117D+01  0.113545D+01
               176           177           178           179           180 
      1   0.767869D+00  0.311952D+00  0.211533D+02  0.120078D+01  0.180757D+01
      2   0.208368D+02 -0.279912D+01 -0.647245D+01 -0.473291D+01 -0.131070D+00
      3  -0.216047D+02  0.248717D+01 -0.146808D+02  0.353214D+01 -0.167650D+01
      4  -0.523105D+02  0.692876D+01 -0.998855D+01  0.163173D+02 -0.934760D+01
      5   0.641354D+01 -0.592428D+01  0.977464D+01 -0.818813D+01  0.271782D+01
      6  -0.215007D+01  0.455731D+01 -0.387093D+01  0.583159D+01 -0.242754D+01
               181           182           183           184           185 
      1  -0.296884D+01 -0.274631D+01  0.118680D+02 -0.922162D+01 -0.117976D+02
      2  -0.233945D+01  0.538805D+00 -0.335570D+01  0.398085D+01  0.526196D+01
      3   0.530829D+01  0.220750D+01 -0.851232D+01  0.524076D+01  0.653563D+01
      4  -0.455712D+01 -0.443934D+01  0.127543D+00 -0.367688D+01  0.103692D+01
      5   0.757614D+01 -0.358066D+00 -0.277710D+01  0.910101D+00  0.432895D+01
      6   0.137607D+01 -0.607906D-02 -0.168777D+01 -0.495355D+00  0.317012D+00
               186           187           188           189           190 
      1  -0.377762D+00  0.211299D+02 -0.734688D+00 -0.241697D+02 -0.552309D+02
      2   0.945772D+00 -0.932810D+01  0.124107D+01 -0.864157D+01  0.317146D+02
      3  -0.568011D+00 -0.118018D+02 -0.506377D+00  0.328112D+02  0.235164D+02
      4   0.392849D+01  0.161872D+01  0.653219D+01 -0.167652D+01 -0.171921D+02
      5  -0.474717D+00 -0.479721D+00 -0.148266D+00  0.517527D+02  0.245694D+01
      6   0.658341D+01 -0.290827D+00  0.339837D+01  0.725209D+01  0.237230D+01
               191           192           193           194           195 
      1   0.147800D+02  0.165399D+01  0.691048D+01 -0.100061D+02 -0.620950D+00
      2  -0.150097D+02 -0.672488D+00 -0.759102D+01  0.954421D+01  0.152034D+01
      3   0.229714D+00 -0.981502D+00  0.680542D+00  0.461884D+00 -0.899389D+00
      4  -0.454496D+01  0.232208D+01  0.194055D+01 -0.346759D+00  0.222240D+01
      5   0.133221D+01 -0.170633D+01  0.464060D-01  0.251502D+01  0.719298D+00
      6   0.392359D+00 -0.323710D+01  0.758720D+00  0.116742D+01  0.195323D+01
               196           197           198           199           200 
      1   0.327292D+01 -0.240034D+01 -0.542018D+01  0.265338D+01  0.173417D+01
      2  -0.966083D+00  0.306797D+01  0.225267D+01 -0.197546D+01  0.164864D+01
      3  -0.230684D+01 -0.667633D+00  0.316750D+01 -0.677916D+00 -0.338281D+01
      4   0.111308D+01  0.389079D+01  0.182145D+01  0.596425D+01  0.965689D+01
      5   0.124109D+01  0.284482D+01 -0.329566D+01 -0.104465D+02 -0.368121D+01
      6  -0.220970D+01  0.371488D+01 -0.117132D+01 -0.406804D+01 -0.199792D+01
               201           202           203           204           205 
      1  -0.708920D+01 -0.996770D+00 -0.294969D+00  0.260512D+01 -0.107461D+02
      2   0.540214D+01  0.255170D+01  0.181175D+01 -0.275313D+01  0.778013D+01
      3   0.168706D+01 -0.155493D+01 -0.151678D+01  0.148015D+00  0.296594D+01
      4  -0.577695D+01  0.622349D+01  0.671346D+01 -0.533240D+01 -0.890463D+01
      5   0.141977D+02 -0.735449D+00 -0.562263D+01  0.335987D+01  0.159682D+02
      6   0.544435D+01 -0.164952D+01 -0.329836D+01  0.749756D+01  0.746802D+01
               206           207           208           209           210 
      1   0.561399D+01 -0.653021D+01  0.132573D+02  0.952073D+01  0.551344D+01
      2  -0.535904D+01 -0.856927D+01  0.255706D+01  0.788834D+01 -0.470223D-01
      3  -0.254950D+00  0.150995D+02 -0.158143D+02 -0.174091D+02 -0.546642D+01
      4  -0.136375D+02  0.167208D+02  0.268754D+02  0.341432D+02  0.831185D+01
      5   0.143621D+02 -0.497727D+02  0.794364D+01  0.583293D+01  0.866150D+01
      6   0.123826D+02 -0.283482D+02  0.512606D+01  0.449867D+01  0.590791D+01
               211           212           213           214           215 
      1   0.818929D+01 -0.281443D+01 -0.115260D+01  0.950626D+01 -0.234259D+01
      2   0.922869D+01  0.320960D+02  0.815732D+01 -0.215553D+00  0.127472D+02
      3  -0.174180D+02 -0.292816D+02 -0.700471D+01 -0.929070D+01 -0.104046D+02
      4   0.342385D+02  0.573502D+02  0.156092D+02  0.160059D+02  0.274646D+02
      5   0.673218D+01  0.140738D+02  0.104037D+02  0.114276D+02  0.141755D+02
      6   0.574490D+01  0.126239D+02  0.985600D+01  0.771360D+01  0.126170D+02
               216           217           218           219           220 
      1   0.119038D+01  0.269460D+02  0.975322D+00 -0.202835D+02  0.326868D+01
      2   0.273174D+01 -0.157209D+02 -0.354234D+00  0.115399D+02 -0.132155D+01
      3  -0.392212D+01 -0.112251D+02 -0.621088D+00  0.874353D+01 -0.194713D+01
      4   0.161145D+02  0.196035D+01  0.827958D+01  0.290936D+00  0.152744D+02
      5   0.902514D+01 -0.213148D+02  0.768088D+00  0.237954D+02  0.362839D+00
      6   0.813987D+01 -0.457352D+00  0.306146D+00  0.537992D+00 -0.978161D+00
               221           222           223           224           225 
      1   0.106353D+02  0.755927D+00 -0.495057D+02  0.194774D+01  0.299456D+02
      2  -0.534908D+01 -0.711406D+00  0.290482D+02 -0.160051D+01 -0.235889D+02
      3  -0.528624D+01 -0.445207D-01  0.204575D+02 -0.347233D+00 -0.635670D+01
      4  -0.174406D+01 -0.506259D+01  0.920524D-01 -0.104541D+02  0.616921D+00
      5  -0.476193D+01  0.689913D+00  0.432359D+02 -0.439454D+00 -0.691466D+02
      6  -0.506766D+00  0.417556D+01  0.180007D+01  0.391470D+01 -0.230472D+01
               226           227           228           229           230 
      1   0.248317D+02 -0.205591D+02  0.104279D+02 -0.436763D+02  0.300311D+02
      2  -0.120852D+02  0.994496D+01 -0.558871D+01  0.214939D+02 -0.101508D+02
      3  -0.127465D+02  0.106141D+02 -0.483920D+01  0.221824D+02 -0.198803D+02
      4  -0.210798D+02  0.231726D+02 -0.688015D+01  0.409738D+02 -0.631420D+02
      5   0.122522D+02 -0.779881D+01  0.116831D+02 -0.149343D+02  0.243408D+02
      6  -0.255667D+01  0.206182D+01 -0.923828D+00  0.464740D+01 -0.747048D+01
               231           232           233           234           235 
      1  -0.906380D+01  0.206237D+02 -0.758732D+01  0.140075D+02  0.561826D+02
      2   0.552538D+01 -0.118413D+02  0.509954D+01 -0.100111D+02 -0.270066D+02
      3   0.353842D+01 -0.878233D+01  0.248778D+01 -0.399634D+01 -0.291760D+02
      4   0.226884D+02 -0.112330D+02  0.241870D+02 -0.147244D+02  0.333312D+02
      5  -0.190942D+02  0.217813D+02 -0.160792D+02  0.141599D+02  0.243248D+02
      6   0.578117D+01 -0.245796D+01  0.622344D+01 -0.429116D+01  0.538541D+01
               236           237           238           239           240 
      1   0.273878D+02  0.189447D+02  0.574882D+02  0.300578D+02  0.134388D+02
      2  -0.122427D+02 -0.100135D+02 -0.254845D+02 -0.871789D+01 -0.656802D+01
      3  -0.151451D+02 -0.893121D+01 -0.320037D+02 -0.213399D+02 -0.687082D+01
      4   0.274060D+02  0.119160D+02  0.468911D+02  0.433240D+02  0.221207D+02
      5   0.124125D+02  0.196212D+02  0.224004D+02  0.228259D+02  0.204224D+02
      6   0.340630D+01  0.297879D+01  0.734079D+01  0.762393D+01  0.664683D+01
               241           242           243           244           245 
      1   0.358584D+02  0.115177D+02  0.208600D+02  0.200445D+01  0.388237D+01
      2  -0.193896D+02 -0.564086D+01 -0.135407D+02 -0.355680D+01 -0.210516D+01
      3  -0.164688D+02 -0.587683D+01 -0.731933D+01  0.155235D+01 -0.177721D+01
      4   0.191326D+02  0.239001D+02  0.164403D+02  0.654929D+01  0.714847D+01
      5   0.330200D+02  0.169640D+02  0.208560D+02 -0.110533D+02 -0.289173D+01
      6   0.607786D+01  0.683946D+01  0.608451D+01 -0.458125D+01 -0.612704D+00
               246           247           248           249           250 
      1  -0.620618D+01  0.424606D+01  0.334119D-01  0.205457D+01 -0.813409D+01
      2   0.451776D+01 -0.180132D+01  0.119083D+01 -0.160930D+01  0.755342D+01
      3   0.168842D+01 -0.244474D+01 -0.122424D+01 -0.445265D+00  0.580668D+00
      4  -0.378412D+01  0.107284D+02  0.718880D+01 -0.767325D+01 -0.642137D+01
      5   0.120469D+02 -0.398758D+01 -0.781278D+01  0.113086D+02  0.163535D+02
      6   0.268624D+01 -0.224838D+01 -0.626217D+01  0.815782D+01  0.437583D+01
               251           252           253           254           255 
      1   0.228962D+01 -0.441288D+01 -0.880238D+02 -0.955710D+01  0.615805D+01
      2   0.734324D+00 -0.906304D+01  0.438034D+02  0.133292D+02 -0.464936D+01
      3  -0.302395D+01  0.134759D+02  0.442204D+02 -0.377207D+01 -0.150869D+01
      4  -0.111266D+02  0.112991D+02 -0.142797D+02  0.250375D+02  0.104197D+02
      5   0.100603D+02 -0.359233D+02  0.980162D+01  0.759685D+01  0.138815D+02
      6   0.771994D+01 -0.132478D+02  0.810777D+01  0.639654D+01  0.512642D+01
               256           257           258           259           260 
      1   0.134215D+02  0.361766D+02  0.334764D+01  0.292629D+02  0.405747D+01
      2  -0.285773D+01 -0.396058D+02 -0.774926D+01 -0.125615D+02 -0.369210D+01
      3  -0.105637D+02  0.342926D+01  0.440162D+01 -0.167014D+02 -0.365371D+00
      4   0.286982D+02 -0.276478D+02  0.477268D+01  0.229275D+02  0.153701D+02
      5   0.132290D+02  0.753327D+01  0.186134D+02  0.211383D+02  0.202137D+02
      6   0.711411D+01 -0.422805D+01  0.616655D+01  0.932188D+01  0.847681D+01
               261           262           263           264           265 
      1   0.152685D+02  0.859440D+01 -0.100296D+02  0.315910D+01 -0.850368D+01
      2   0.614563D+01  0.164153D+01 -0.102557D+01 -0.198271D+00 -0.908535D+01
      3  -0.214142D+02 -0.102359D+02  0.110551D+02 -0.296082D+01  0.175890D+02
      4   0.234559D+02 -0.172330D+02  0.207757D+02 -0.499263D+01  0.338099D+02
      5  -0.187104D+02  0.625692D+01 -0.520464D+01  0.433734D+01 -0.950175D+01
      6  -0.288994D+01 -0.379288D+01  0.360094D+01 -0.178568D+01  0.694863D+01
               266           267           268           269           270 
      1  -0.241631D+01 -0.161190D+00  0.172962D+00  0.131514D+01 -0.478084D+00
      2   0.336786D+02 -0.576595D+01 -0.221470D+01  0.361363D+01  0.140945D+01
      3  -0.312622D+02  0.592714D+01  0.204174D+01 -0.492878D+01 -0.931367D+00
      4  -0.678468D+02  0.147703D+02  0.227351D+01 -0.414785D+01 -0.477605D+01
      5   0.159123D+02 -0.122151D+02  0.364318D+01 -0.486879D+01  0.561792D+01
      6  -0.149959D+02  0.835052D+01 -0.207286D+01  0.492702D+01 -0.343730D+01
               271           272           273           274           275 
      1   0.620094D+01 -0.192101D-01  0.599463D+01 -0.723128D+01 -0.606938D+01
      2  -0.597694D+01 -0.120079D+01 -0.228283D+01  0.363988D+01  0.282162D+01
      3  -0.224000D+00  0.122000D+01 -0.371181D+01  0.359140D+01  0.324776D+01
      4  -0.111034D+01 -0.348784D+01 -0.262498D+00 -0.312564D+01 -0.320582D+01
      5   0.351285D+01 -0.171078D+01  0.509370D-01 -0.467671D+01  0.375434D+01
      6  -0.303469D+00 -0.164729D+01 -0.129756D+01 -0.858852D+00 -0.319914D+00
               276           277           278           279           280 
      1  -0.482265D+00  0.100925D+02 -0.378332D-01 -0.119529D+02  0.133345D+03
      2   0.526378D+01 -0.689666D+01  0.448949D+01 -0.158085D+02 -0.628937D+02
      3  -0.478152D+01 -0.319586D+01 -0.445166D+01  0.277614D+02 -0.704510D+02
      4   0.412911D+01  0.453868D+01  0.891762D+01 -0.356886D+01  0.451164D+02
      5  -0.101451D+02  0.100940D+02 -0.255251D+01  0.437465D+02  0.117347D+02
      6   0.103296D+01  0.167145D+01  0.365084D+01  0.126497D+02  0.294899D+00
               281           282           283           284           285 
      1   0.121252D+02 -0.299070D+00 -0.480300D+01  0.757897D+01 -0.329872D+00
      2  -0.225758D+01 -0.737684D+00  0.543403D+01 -0.231766D+00  0.723437D+00
      3  -0.986764D+01  0.103675D+01 -0.631035D+00 -0.734720D+01 -0.393566D+00
      4   0.185685D+02  0.142861D+01  0.139566D+02  0.711886D+01 -0.100131D+01
      5   0.201128D+01  0.128836D+02 -0.133720D+01 -0.608896D+00 -0.220592D+01
      6   0.185667D+01  0.363452D+01  0.488651D+00  0.582733D+00  0.191672D+00
               286           287           288           289           290 
      1  -0.163958D+02 -0.196066D+01  0.915804D+01  0.120737D+01  0.146317D+02
      2   0.635932D+01  0.263570D-02 -0.673737D+01  0.257734D+01 -0.147452D+02
      3   0.100365D+02  0.195802D+01 -0.242067D+01 -0.378471D+01  0.113502D+00
      4  -0.762110D+01 -0.489094D+01  0.139821D+01  0.449971D+01 -0.720856D+01
      5   0.125110D+02 -0.458395D+00 -0.159992D+00 -0.176846D+01 -0.770350D+00
      6   0.325986D+01  0.571923D+00 -0.519588D+00 -0.778976D-02 -0.318083D+01
               291           292           293           294           295 
      1   0.545841D+00  0.112364D+02 -0.333558D+02 -0.330642D+01 -0.410009D+01
      2  -0.544060D+00 -0.399720D+01  0.550340D+02  0.356284D+01  0.935536D+00
      3  -0.178019D-02 -0.723919D+01 -0.216782D+02 -0.256420D+00  0.316455D+01
      4  -0.242259D+01  0.108227D+02  0.604630D+02  0.681822D+01 -0.337396D+01
      5  -0.281747D+01  0.287776D+01  0.419593D+01  0.690923D+01 -0.348065D+00
      6  -0.244788D+01  0.527087D+00  0.122585D+02  0.760649D+01 -0.399177D+00
               296           297 
      1  -0.137961D+01 -0.607548D+01
      2  -0.131559D+01  0.439374D+01
      3   0.269521D+01  0.168174D+01
      4  -0.438961D+01  0.379253D+01
      5   0.468780D+01  0.230071D+01
      6   0.695429D+01  0.162474D+01
 Leave Link  716 at Wed Sep  8 13:47:06 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223923D+03 -0.257687D+01 -0.441587D+00
      2  -0.257687D+01  0.137355D+03 -0.708437D+01
      3  -0.441587D+00 -0.708437D+01  0.150842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.196837D+01 -0.702774D+01  0.218865D+02
      2   0.103997D+02 -0.746058D+01  0.299852D+02
      3  -0.113523D+03 -0.412961D+02  0.104370D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253889D+03  0.444836D+02  0.422658D+01
      2  -0.133606D+03 -0.222708D+02  0.199515D+02
      3  -0.120283D+03 -0.222128D+02 -0.241781D+02
      4  -0.301197D+02  0.714652D+02 -0.241676D+02
      5   0.318859D+00 -0.260543D+02  0.586427D+02
      6  -0.132624D+02  0.142305D+02 -0.316080D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153004D+02  0.469215D+00  0.958764D+00  0.653957D+01  0.222083D+01
      2   0.469215D+00  0.764461D+00  0.896382D-01  0.222083D+01  0.201112D+01
      3   0.958764D+00  0.896382D-01  0.146222D+01  0.457388D-01 -0.278050D+01
                 6             7             8             9            10 
      1   0.457388D-01 -0.120177D+02  0.534853D+00 -0.439783D+00  0.350802D+02
      2  -0.278050D+01  0.534853D+00 -0.133451D+01 -0.106742D+01  0.141520D+01
      3  -0.234673D+01 -0.439783D+00 -0.106742D+01 -0.154405D+01 -0.114691D+01
                11            12            13            14            15 
      1   0.141520D+01 -0.114691D+01 -0.861003D+00  0.484493D+01  0.108823D+01
      2   0.191355D+01 -0.690549D+00  0.484493D+01 -0.970488D+00 -0.163030D+00
      3  -0.690549D+00  0.278942D+01  0.108823D+01 -0.163030D+00 -0.544457D+00
                16            17            18            19            20 
      1  -0.315647D+01  0.111972D+01  0.149042D+01  0.121514D+02 -0.564741D+00
      2   0.111972D+01  0.595988D+00 -0.917496D+00 -0.564741D+00 -0.830352D+00
      3   0.149042D+01 -0.917496D+00 -0.738355D+00 -0.883514D+00 -0.272815D+00
                21            22            23            24            25 
      1  -0.883514D+00  0.538272D+01 -0.180655D+01 -0.112530D+01 -0.150969D+02
      2  -0.272815D+00 -0.180655D+01  0.237445D+01 -0.226336D+01  0.152838D+00
      3  -0.283379D+01 -0.112530D+01 -0.226336D+01 -0.137698D+01  0.869255D+00
                26            27            28            29            30 
      1   0.152838D+00  0.869255D+00 -0.337779D+02  0.795175D+00  0.102412D+01
      2  -0.100494D+01 -0.916860D+00  0.795175D+00 -0.171776D+01  0.167782D+00
      3  -0.916860D+00 -0.149733D+01  0.102412D+01  0.167782D+00 -0.272317D+01
                31            32            33            34            35 
      1   0.281185D+01 -0.530875D+01 -0.162705D+01  0.303554D+01 -0.133837D+01
      2  -0.530875D+01  0.535958D+00  0.376119D+00 -0.133837D+01 -0.129260D+00
      3  -0.162705D+01  0.376119D+00 -0.147896D+00 -0.882809D+00 -0.921771D+00
                36            37            38            39            40 
      1  -0.882809D+00  0.161201D+02 -0.564073D+00 -0.125437D+01 -0.373552D+01
      2  -0.921771D+00 -0.564073D+00 -0.196021D+01  0.140273D+01 -0.178835D+01
      3   0.502319D+00 -0.125437D+01  0.140273D+01 -0.164474D+01 -0.485634D+00
                41            42            43            44            45 
      1  -0.178835D+01 -0.485634D+00  0.132558D+02 -0.213878D+01  0.207530D+00
      2  -0.264518D+01  0.254267D+01 -0.213878D+01  0.121762D+01  0.141884D+01
      3   0.254267D+01  0.201685D+01  0.207530D+00  0.141884D+01  0.153170D+01
                46            47            48            49            50 
      1  -0.118118D+02  0.422588D+00  0.847284D+00 -0.336843D+01  0.119562D+01
      2   0.422588D+00  0.161724D+01 -0.895225D+00  0.119562D+01 -0.333942D+01
      3   0.847284D+00 -0.895225D+00  0.264481D+01  0.153550D+01  0.215921D+01
                51            52            53            54            55 
      1   0.153550D+01  0.144991D+02  0.145700D+01 -0.129854D+01 -0.188410D+02
      2   0.215921D+01  0.145700D+01 -0.119532D+00  0.149999D+01 -0.206501D+01
      3   0.106886D+01 -0.129854D+01  0.149999D+01  0.846544D+00 -0.236799D+00
                56            57            58            59            60 
      1  -0.206501D+01 -0.236799D+00 -0.678368D+01 -0.776529D+01 -0.570603D+00
      2  -0.355205D+01 -0.113443D+00 -0.776529D+01  0.252085D+01 -0.172667D+01
      3  -0.113443D+00 -0.147915D+01 -0.570603D+00 -0.172667D+01  0.156280D+00
                61            62            63            64            65 
      1  -0.695668D+01 -0.131955D+01 -0.318568D+01  0.179125D+00  0.293583D+01
      2  -0.131955D+01 -0.313407D+01  0.703253D+00  0.293583D+01  0.386963D+01
      3  -0.318568D+01  0.703253D+00  0.525141D+01 -0.209728D+00  0.370714D+00
                66            67            68            69            70 
      1  -0.209728D+00  0.128263D+02  0.691166D+01  0.832099D+00  0.672868D+01
      2   0.370714D+00  0.691166D+01 -0.140090D+01  0.218309D+01  0.144184D+01
      3   0.251144D+01  0.832099D+00  0.218309D+01  0.481536D+00  0.379709D+01
                71            72            73            74            75 
      1   0.144184D+01  0.379709D+01  0.602339D+01 -0.250780D+01 -0.979808D+00
      2   0.309190D+01  0.530390D+00 -0.250780D+01 -0.353817D+01 -0.657627D+00
      3   0.530390D+00 -0.723105D+01 -0.979808D+00 -0.657627D+00 -0.190690D+01
                76            77            78            79            80 
      1  -0.394997D+01 -0.405413D+01 -0.918964D+00 -0.228066D+01 -0.992825D+00
      2  -0.405413D+01 -0.547656D+00 -0.290332D+01 -0.992825D+00 -0.408441D+01
      3  -0.918964D+00 -0.290332D+01 -0.105357D+01 -0.269193D+01 -0.188105D+01
                81            82            83            84            85 
      1  -0.269193D+01  0.528031D+01 -0.167945D+01 -0.409703D+00 -0.412271D+01
      2  -0.188105D+01 -0.167945D+01 -0.355789D+01 -0.510863D+00 -0.584824D+01
      3   0.528149D+01 -0.409703D+00 -0.510863D+00 -0.293351D+01 -0.901731D+00
                86            87            88            89            90 
      1  -0.584824D+01 -0.901731D+00 -0.206342D+01 -0.979824D+00 -0.461499D+01
      2   0.199964D+01 -0.385945D+01 -0.979824D+00 -0.398069D+01 -0.230090D+00
      3  -0.385945D+01 -0.376014D+00 -0.461499D+01 -0.230090D+00  0.434353D+01
                91            92            93            94            95 
      1   0.776198D+01  0.171572D+01  0.185643D+01 -0.478373D+01  0.669925D+01
      2   0.171572D+01  0.197972D+01  0.358890D+00  0.669925D+01 -0.380674D+01
      3   0.185643D+01  0.358890D+00  0.159650D+01  0.167890D+01  0.573384D+00
                96            97            98            99           100 
      1   0.167890D+01  0.292612D+01  0.233592D+01  0.257373D+01  0.160482D+01
      2   0.573384D+00  0.233592D+01  0.613448D+00  0.279831D+01 -0.153900D+01
      3   0.227452D+01  0.257373D+01  0.279831D+01 -0.326397D+01 -0.175748D+01
               101           102           103           104           105 
      1  -0.153900D+01 -0.175748D+01 -0.148752D+01 -0.897241D+00  0.142746D+01
      2   0.491258D-01  0.894682D+00 -0.897241D+00  0.303243D+01 -0.178696D+01
      3   0.894682D+00  0.697342D+00  0.142746D+01 -0.178696D+01 -0.336383D+01
               106           107           108           109           110 
      1  -0.521371D+01  0.243805D+01  0.146326D+01 -0.309723D+01  0.195916D+01
      2   0.243805D+01 -0.446923D+01 -0.353344D+01  0.195916D+01 -0.100888D+01
      3   0.146326D+01 -0.353344D+01 -0.218152D+01  0.337417D+01 -0.807800D+00
               111           112           113           114           115 
      1   0.337417D+01  0.448381D+01 -0.321167D+01 -0.191535D+01  0.876293D+01
      2  -0.807800D+00 -0.321167D+01  0.468424D+01  0.386593D+01 -0.372794D+01
      3  -0.151598D+01 -0.191535D+01  0.386593D+01  0.356701D+01 -0.367717D+01
               116           117           118           119           120 
      1  -0.372794D+01 -0.367717D+01 -0.692068D-01 -0.376647D+00 -0.132310D+01
      2   0.528589D+01  0.421348D+01 -0.376647D+00  0.202021D+01 -0.276712D+00
      3   0.421348D+01  0.900194D+01 -0.132310D+01 -0.276712D+00 -0.157838D+00
               121           122           123           124           125 
      1  -0.719185D+00  0.318630D+01 -0.622748D+00 -0.479358D+01  0.930688D+00
      2   0.318630D+01 -0.710146D+01  0.381749D-01  0.930688D+00 -0.116330D+01
      3  -0.622748D+00  0.381749D-01 -0.662155D-01 -0.107391D+01  0.143795D+01
               126           127           128           129           130 
      1  -0.107391D+01  0.204011D+01  0.638648D+00 -0.206386D+01  0.132615D+00
      2   0.143795D+01  0.638648D+00  0.275590D+00 -0.423295D+00  0.192200D+00
      3  -0.403290D+01 -0.206386D+01 -0.423295D+00  0.217922D+01 -0.723452D+00
               131           132           133           134           135 
      1   0.192200D+00 -0.723452D+00 -0.240617D+01 -0.855623D+00  0.275751D+01
      2   0.381631D+00 -0.641116D+00 -0.855623D+00 -0.116366D+01  0.162402D+01
      3  -0.641116D+00  0.221243D+01  0.275751D+01  0.162402D+01 -0.728831D+01
               136           137           138           139           140 
      1  -0.360726D+01  0.888627D+00 -0.207734D+01  0.151942D+01 -0.592824D+00
      2   0.888627D+00 -0.639196D+00  0.573360D+00 -0.592824D+00  0.589816D+00
      3  -0.207734D+01  0.573360D+00 -0.186385D+01  0.113448D+01 -0.575149D+00
               141           142           143           144           145 
      1   0.113448D+01 -0.252131D+01  0.863211D+00 -0.270089D+01 -0.206590D+01
      2  -0.575149D+00  0.863211D+00 -0.111158D+01  0.142336D+01 -0.714265D+00
      3   0.187478D+01 -0.270089D+01  0.142336D+01 -0.485609D+01  0.204852D+01
               146           147           148           149           150 
      1  -0.714265D+00  0.204852D+01 -0.496675D+00 -0.230185D+00  0.753349D+00
      2  -0.382122D+00  0.693667D+00 -0.230185D+00 -0.626193D+00  0.870625D+00
      3   0.693667D+00 -0.220311D+01  0.753349D+00  0.870625D+00 -0.228261D+01
               151           152           153           154           155 
      1   0.205414D+01  0.101111D+01 -0.267746D+01  0.361881D+01 -0.107404D+01
      2   0.101111D+01  0.162950D+01 -0.240231D+01 -0.107404D+01  0.873244D+00
      3  -0.267746D+01 -0.240231D+01  0.732954D+01  0.256918D+01 -0.109962D+01
               156           157           158           159           160 
      1   0.256918D+01 -0.188203D+01  0.720191D+00 -0.128295D+01  0.271667D+01
      2  -0.109962D+01  0.720191D+00 -0.857902D+00  0.897856D+00 -0.124222D+01
      3   0.236347D+01 -0.128295D+01  0.897856D+00 -0.204350D+01  0.304779D+01
               161           162           163           164           165 
      1  -0.124222D+01  0.304779D+01  0.128682D+01 -0.451681D-01 -0.154349D+01
      2   0.161206D+01 -0.215544D+01 -0.451681D-01  0.765485D+00  0.314804D+00
      3  -0.215544D+01  0.531783D+01 -0.154349D+01  0.314804D+00  0.141572D+01
               166           167           168           169           170 
      1   0.183217D+01  0.122501D+01 -0.284056D-01 -0.380981D+01  0.137755D+00
      2   0.122501D+01 -0.409940D+00 -0.721892D+00  0.137755D+00 -0.115399D+01
      3  -0.284056D-01 -0.721892D+00  0.263357D-01  0.248306D+01 -0.123568D+01
               171           172           173           174           175 
      1   0.248306D+01  0.464535D+01 -0.191374D+01  0.687209D+00 -0.439870D+01
      2  -0.123568D+01 -0.191374D+01  0.235947D+01 -0.931704D-01  0.364073D+01
      3  -0.619556D+01  0.687209D+00 -0.931704D-01  0.389518D+00 -0.249429D+00
               176           177           178           179           180 
      1   0.364073D+01 -0.249429D+00  0.554192D+01 -0.476798D+00  0.112054D+01
      2  -0.668388D+01  0.911452D+00 -0.476798D+00  0.213287D+01 -0.111537D+01
      3   0.911452D+00 -0.779019D+00  0.112054D+01 -0.111537D+01  0.345603D+00
               181           182           183           184           185 
      1  -0.876201D+00 -0.786292D+00  0.128573D+01 -0.174685D+01 -0.917778D+00
      2  -0.786292D+00 -0.899791D+00 -0.832831D-01 -0.917778D+00  0.190268D+00
      3   0.128573D+01 -0.832831D-01 -0.106473D+01  0.959664D-01  0.696664D+00
               186           187           188           189           190 
      1   0.959664D-01  0.220464D+01  0.140540D+00 -0.670011D+00 -0.880628D+01
      2   0.696664D+00  0.140540D+00  0.108244D+01  0.205081D-01  0.610286D+00
      3   0.520684D-02 -0.670011D+00  0.205081D-01  0.736092D+01  0.359206D+00
               191           192           193           194           195 
      1   0.610286D+00  0.359206D+00  0.179646D+00 -0.133687D+01  0.776550D-01
      2  -0.235726D+01  0.105695D+00 -0.133687D+01  0.745797D+00  0.338068D+00
      3   0.105695D+00 -0.625903D+00  0.776550D-01  0.338068D+00  0.361384D+00
               196           197           198           199           200 
      1   0.407853D+00 -0.116767D+00 -0.328792D+00  0.427357D+00  0.639244D+00
      2  -0.116767D+00  0.575103D+00  0.562621D+00  0.639244D+00  0.953482D+00
      3  -0.328792D+00  0.562621D+00 -0.341450D+00 -0.105704D+01 -0.323004D+00
               201           202           203           204           205 
      1  -0.105704D+01  0.295885D+00  0.597465D+00 -0.997325D-01 -0.175175D+01
      2  -0.323004D+00  0.597465D+00  0.796047D+00 -0.731541D+00 -0.542340D+00
      3   0.138664D+01 -0.997325D-01 -0.731541D+00  0.551016D+00  0.152868D+01
               206           207           208           209           210 
      1  -0.542340D+00  0.152868D+01  0.240549D+01  0.267804D+01  0.898639D+00
      2  -0.191814D+01  0.190621D+01  0.267804D+01  0.340059D+01  0.692450D+00
      3   0.190621D+01 -0.668550D+01  0.898639D+00  0.692450D+00  0.926958D+00
               211           212           213           214           215 
      1   0.226571D+01  0.339138D+01  0.873457D+00  0.188287D+01  0.152103D+01
      2   0.339138D+01  0.698185D+01  0.196261D+01  0.152103D+01  0.349212D+01
      3   0.873457D+00  0.196261D+01  0.133607D+01  0.127580D+01  0.187286D+01
               216           217           218           219           220 
      1   0.127580D+01  0.210348D+01  0.101718D+00 -0.165415D+01  0.378710D+00
      2   0.187286D+01  0.101718D+00  0.604132D+00  0.608769D-01  0.122146D+01
      3   0.111665D+01 -0.165415D+01  0.608769D-01  0.170270D+01  0.199110D-01
               221           222           223           224           225 
      1   0.122146D+01  0.199110D-01 -0.450638D+01  0.124617D+00  0.340930D+01
      2  -0.169138D+00 -0.460150D+00  0.124617D+00 -0.902206D+00 -0.602044D-01
      3  -0.460150D+00  0.733548D-01  0.340930D+01 -0.602044D-01 -0.597413D+01
               226           227           228           229           230 
      1   0.187189D+01 -0.177603D+01  0.900905D+00 -0.402496D+01  0.340406D+01
      2  -0.177603D+01  0.175177D+01 -0.540229D+00  0.340406D+01 -0.575504D+01
      3   0.900905D+00 -0.540229D+00  0.860421D+00 -0.110420D+01  0.203725D+01
               231           232           233           234           235 
      1  -0.110420D+01  0.197304D+01 -0.953199D+00  0.171188D+01  0.463445D+01
      2   0.203725D+01 -0.953199D+00  0.221332D+01 -0.137943D+01  0.251441D+01
      3  -0.155519D+01  0.171188D+01 -0.137943D+01  0.120138D+01  0.174668D+01
               236           237           238           239           240 
      1   0.251441D+01  0.174668D+01  0.589653D+01  0.373280D+01  0.167684D+01
      2   0.197015D+01  0.916588D+00  0.373280D+01  0.362541D+01  0.188928D+01
      3   0.916588D+00  0.135790D+01  0.167684D+01  0.188928D+01  0.161293D+01
               241           242           243           244           245 
      1   0.373064D+01  0.153138D+01  0.254365D+01  0.124088D-01 -0.843103D+00
      2   0.153138D+01  0.205409D+01  0.139951D+01 -0.843103D+00 -0.686776D+00
      3   0.254365D+01  0.139951D+01  0.166550D+01  0.124638D+01  0.240396D+00
               246           247           248           249           250 
      1   0.124638D+01 -0.121888D+01 -0.119836D+01  0.401781D+00  0.263183D+01
      2   0.240396D+00 -0.119836D+01 -0.967491D+00  0.116474D+01  0.458626D+00
      3  -0.112413D+01  0.401781D+00  0.116474D+01 -0.159048D+01 -0.184078D+01
               251           252           253           254           255 
      1   0.458626D+00 -0.184078D+01  0.835866D+01 -0.746259D+00 -0.189318D+01
      2   0.155179D+01 -0.142493D+01 -0.746259D+00 -0.336372D+01 -0.106750D+01
      3  -0.142493D+01  0.523609D+01 -0.189318D+01 -0.106750D+01 -0.155726D+01
               256           257           258           259           260 
      1  -0.426008D+01 -0.296747D+01 -0.144774D+01 -0.705662D+01 -0.183690D+01
      2  -0.296747D+01  0.523179D+01 -0.293753D+00 -0.183690D+01 -0.179305D+01
      3  -0.144774D+01 -0.293753D+00 -0.241792D+01 -0.215776D+01 -0.249487D+01
               261           262           263           264           265 
      1  -0.215776D+01 -0.131133D+01  0.171126D+01 -0.711495D+00  0.272143D+01
      2  -0.249487D+01  0.171126D+01 -0.194827D+01  0.533404D+00 -0.393245D+01
      3   0.276371D+01 -0.711495D+00  0.533404D+00 -0.513985D+00  0.103542D+01
               266           267           268           269           270 
      1  -0.393245D+01  0.103542D+01 -0.150567D-01 -0.271511D+00 -0.384868D+00
      2   0.933841D+01 -0.201122D+01 -0.271511D+00  0.448779D+00  0.666880D+00
      3  -0.201122D+01  0.170669D+01 -0.384868D+00  0.666880D+00 -0.819771D+00
               271           272           273           274           275 
      1  -0.432326D+00  0.405005D+00 -0.492436D+00  0.140984D+01  0.288225D+00
      2   0.405005D+00  0.531887D+00  0.216808D+00  0.288225D+00  0.293231D+00
      3  -0.492436D+00  0.216808D+00  0.423564D+00  0.389170D+00 -0.648863D+00
               276           277           278           279           280 
      1   0.389170D+00 -0.177213D+01 -0.204204D+00 -0.719040D+00 -0.155908D+02
      2  -0.648863D+00 -0.204204D+00 -0.120465D+01  0.337760D+00 -0.189163D+01
      3   0.131928D+01 -0.719040D+00  0.337760D+00 -0.608125D+01 -0.335347D+00
               281           282           283           284           285 
      1  -0.189163D+01 -0.335347D+00  0.762610D+00 -0.120550D+01  0.154935D+00
      2  -0.133454D+01 -0.186844D+00 -0.120550D+01 -0.650448D+00  0.875075D-01
      3  -0.186844D+00 -0.102888D+01  0.154935D+00  0.875075D-01  0.340693D+00
               286           287           288           289           290 
      1   0.209717D+01  0.487759D+00 -0.106406D+01 -0.186099D-01 -0.812900D+00
      2   0.487759D+00  0.545942D+00  0.100153D+00 -0.812900D+00  0.207723D+01
      3  -0.106406D+01  0.100153D+00  0.331822D-01  0.226532D+00  0.409501D+00
               291           292           293           294           295 
      1   0.226532D+00 -0.159883D+01 -0.410452D+00 -0.117607D+00  0.969493D+00
      2   0.409501D+00 -0.410452D+00 -0.940104D+01 -0.102766D+01  0.309904D+00
      3   0.469095D+00 -0.117607D+00 -0.102766D+01 -0.104082D+01  0.129003D+00
               296           297 
      1   0.309904D+00  0.129003D+00
      2   0.524355D+00 -0.779733D+00
      3  -0.779733D+00 -0.398105D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319960D+00 -0.227438D+01  0.759677D+00 -0.726675D+01 -0.243342D+01
      2   0.413821D+01 -0.267646D+01  0.944192D+01 -0.305099D+01  0.210013D+01
      3   0.223997D+02 -0.297543D+01  0.303657D+01  0.748856D+01 -0.202921D+01
                 6             7             8             9            10 
      1  -0.210409D+01 -0.220357D+01  0.167778D+01 -0.461638D+00  0.307537D-01
      2  -0.337981D+01 -0.370741D+01 -0.130655D+01  0.290397D+01  0.145149D+01
      3   0.216253D+01  0.169927D+02 -0.106598D+00  0.297085D+01 -0.370817D+02
                11            12            13            14            15 
      1   0.135135D+00  0.206144D+01  0.171170D+01  0.414175D+01 -0.906545D+01
      2   0.890166D+00 -0.439437D+01  0.588467D+01  0.236732D-01  0.426616D+00
      3  -0.656566D+00  0.757268D+00  0.115043D+02 -0.160415D+01 -0.179152D-01
                16            17            18            19            20 
      1  -0.292516D+01 -0.154123D+01 -0.401015D+01  0.910533D+00  0.149086D+01
      2  -0.282238D+02 -0.183212D+01 -0.259847D+01 -0.601019D+01 -0.112006D+01
      3  -0.266946D+01 -0.928673D+00 -0.233342D+01 -0.162994D+02 -0.243665D+00
                21            22            23            24            25 
      1  -0.151068D+01  0.590735D+01 -0.193422D+01 -0.330339D+01  0.403995D+01
      2   0.365472D+01 -0.461037D+01 -0.238841D+01  0.115331D+01  0.396412D+00
      3   0.280567D+01  0.571743D+01  0.206207D+01 -0.294134D+01  0.221076D+02
                26            27            28            29            30 
      1   0.134868D+01 -0.164391D+01 -0.896178D+00  0.193598D+01 -0.214054D+01
      2   0.948956D-01 -0.188873D+01  0.434915D+01  0.964310D+00 -0.367930D+01
      3  -0.215043D+01 -0.475176D+01  0.379263D+02 -0.124324D+01 -0.285117D+01
                31            32            33            34            35 
      1  -0.645322D+00  0.362073D+01 -0.984784D+01 -0.493168D+01 -0.787304D+00
      2   0.589926D+01  0.141795D+00  0.233153D+01 -0.300402D+02  0.479205D+01
      3   0.801603D+01  0.525939D+01  0.118983D+01 -0.878835D+01 -0.108300D+01
                36            37            38            39            40 
      1  -0.301626D+01 -0.104636D+01 -0.643301D+00 -0.168888D+01 -0.601579D+01
      2   0.335777D+00  0.282055D+01 -0.288305D+01  0.821207D+01 -0.393775D+01
      3   0.143980D+01 -0.180993D+02 -0.930709D+00  0.342839D+01  0.149333D+02
                41            42            43            44            45 
      1   0.195328D+01  0.928349D+00 -0.931371D+00  0.302691D+01  0.194327D+01
      2   0.169761D+01 -0.168148D+01 -0.591096D+01 -0.109808D+01  0.202325D+01
      3  -0.563035D+00  0.313171D+01 -0.135369D+02  0.425659D+01  0.245512D+01
                46            47            48            49            50 
      1   0.590499D-01  0.728386D+00  0.296619D+01  0.875650D+01  0.169586D+01
      2  -0.362789D+01 -0.201471D+01  0.425985D+01 -0.461061D+01 -0.165058D+01
      3   0.163106D+02 -0.172579D+01 -0.129217D+01  0.150109D+02  0.875426D+00
                51            52            53            54            55 
      1  -0.236740D+01  0.301381D+01  0.341764D+01  0.360176D+00 -0.207820D+01
      2   0.106074D+01 -0.474612D+00  0.157971D+01 -0.258368D+01 -0.452514D+01
      3  -0.469160D+01 -0.125588D+02 -0.171728D+01 -0.958821D+00  0.201750D+02
                56            57            58            59            60 
      1  -0.293353D+00 -0.694310D+00 -0.592601D+00 -0.552895D+01 -0.829727D+00
      2   0.357085D+00 -0.523536D+00 -0.198084D+01 -0.109629D+02  0.219430D+01
      3   0.991522D+01  0.363680D+00  0.387572D+02  0.130896D+00  0.641894D+01
                61            62            63            64            65 
      1  -0.449887D-01  0.401343D+01  0.433407D+01  0.259054D+01  0.122220D+01
      2  -0.220744D+02  0.820755D+00  0.207055D+02  0.374778D+01  0.145645D+01
      3   0.115196D+02  0.115505D+02  0.165406D+01 -0.210652D+02 -0.200731D+02
                66            67            68            69            70 
      1  -0.172484D+01 -0.750398D-01 -0.149186D+01 -0.208780D+01  0.452675D+00
      2   0.131791D+02  0.539802D+01  0.107629D+02 -0.446270D-02  0.130009D+02
      3  -0.178405D+01 -0.293805D+02  0.445522D+01 -0.904025D+01 -0.125824D+02
                71            72            73            74            75 
      1   0.465182D+01  0.462699D+01  0.158241D+01  0.207303D+01  0.474159D+01
      2   0.315575D+01 -0.336493D+02 -0.334867D+00 -0.407106D+01 -0.475022D+01
      3  -0.132945D+02 -0.235288D+01  0.266859D+02  0.373257D+01  0.108032D+01
                76            77            78            79            80 
      1   0.323630D+01  0.936426D+01  0.152101D+01  0.691174D+01  0.826600D+01
      2  -0.529267D+01 -0.108338D+02 -0.382654D+01 -0.118064D+02 -0.656427D+01
      3   0.106940D+02 -0.571495D+01  0.850239D+01  0.190698D+01  0.120645D+02
                81            82            83            84            85 
      1  -0.116309D+02 -0.379058D+00 -0.535551D+00  0.367613D+00 -0.442893D+00
      2   0.180477D+02 -0.532312D+01 -0.223019D+01 -0.152180D+02 -0.401923D+01
      3   0.286182D+01  0.856997D+01  0.187331D+02  0.284869D+01  0.388071D+02
                86            87            88            89            90 
      1   0.134758D+01 -0.253368D+01  0.816416D+00  0.749080D+00 -0.129283D+01
      2  -0.214203D+02 -0.515305D+00 -0.308952D+02 -0.105704D+01  0.256548D+02
      3  -0.124870D+02  0.224502D+02  0.514621D+01  0.226019D+02  0.139500D+01
                91            92            93            94            95 
      1   0.193233D+01 -0.123489D+01  0.157844D+01  0.851472D+00 -0.173207D+01
      2  -0.122683D+02  0.360014D+00 -0.140964D+01 -0.585222D+00 -0.474915D+01
      3  -0.787133D+01  0.107097D+01 -0.573579D+00  0.395000D+02 -0.184627D+02
                96            97            98            99           100 
      1  -0.191662D+01  0.140348D+01  0.578282D+01 -0.270893D+00  0.162273D+01
      2  -0.102016D+02 -0.179286D+02 -0.101648D+02  0.117316D+02  0.535195D+01
      3  -0.140405D+01  0.304183D+01 -0.109853D+01  0.710137D+01  0.157478D+02
               101           102           103           104           105 
      1   0.193956D+01 -0.420185D+01  0.782342D+00 -0.164680D+01  0.182903D+01
      2  -0.378575D+01  0.683910D+01 -0.151321D+01  0.566721D+01  0.188139D+02
      3  -0.152419D+02  0.198573D+01 -0.569917D+01  0.165379D+01 -0.447869D+01
               106           107           108           109           110 
      1  -0.328489D+01 -0.301187D+01  0.454133D+01 -0.369541D+01 -0.248795D+01
      2  -0.241378D+01  0.139173D+02  0.931401D+01 -0.817263D+01  0.218730D+01
      3   0.151715D+02 -0.158155D+02 -0.108362D+02 -0.597559D+00 -0.124551D+01
               111           112           113           114           115 
      1   0.243450D+01 -0.219312D+01  0.445887D+01 -0.658988D+01  0.550284D+00
      2   0.512134D+01 -0.209116D+01 -0.106548D+02 -0.147394D+02  0.263498D+01
      3  -0.369318D+00 -0.755397D+01  0.198017D+02  0.127227D+02 -0.173193D+02
               116           117           118           119           120 
      1   0.764879D+01 -0.100173D+02  0.291498D+01 -0.105504D+00  0.444156D+00
      2  -0.126972D+02 -0.318936D+02  0.392583D+01  0.734035D+00  0.197370D+01
      3   0.201097D+02  0.131330D+02 -0.455616D+01  0.551524D+01 -0.291689D+01
               121           122           123           124           125 
      1   0.216131D+00  0.329987D+01 -0.121407D+01 -0.152581D+01  0.679359D+01
      2   0.285501D+01  0.154580D+01 -0.886161D+00 -0.428914D+00 -0.424677D+01
      3   0.931165D+01 -0.212223D+02 -0.837301D+00  0.330844D+01 -0.497580D+01
               126           127           128           129           130 
      1   0.723785D+01 -0.196565D+01 -0.205575D+01  0.108757D+01 -0.213825D+00
      2   0.153790D+02  0.456787D+01  0.923627D+00 -0.107297D+01  0.366604D+00
      3   0.549220D+01 -0.307696D+00 -0.105332D+01  0.953231D+00  0.973543D+00
               131           132           133           134           135 
      1  -0.132849D+01 -0.485800D-01  0.285526D+01  0.519930D+01 -0.490407D+01
      2  -0.761149D-01  0.553248D+00 -0.472079D+01 -0.316772D+00 -0.177005D+01
      3  -0.544077D+00  0.449653D+00  0.116325D+01  0.220687D+01 -0.181937D+01
               136           137           138           139           140 
      1  -0.207472D+01  0.289176D+01 -0.767669D+00  0.114944D+01 -0.127057D+01
      2  -0.769395D+01  0.131342D+01 -0.144546D+01  0.166743D+01 -0.462813D+00
      3   0.140979D+00 -0.136577D+01  0.579391D+00  0.394877D+00  0.130839D+01
               141           142           143           144           145 
      1  -0.605864D+00 -0.196212D+01  0.405118D+01 -0.291425D+01  0.182242D+01
      2   0.131758D+00 -0.448875D+01  0.442989D+00  0.777151D+00  0.432058D+01
      3  -0.119602D+00  0.509822D+00 -0.227194D+01  0.153700D+01  0.263457D+01
               146           147           148           149           150 
      1  -0.917505D+00 -0.225490D+01  0.108559D+01 -0.150326D-01 -0.341113D+01
      2   0.496447D+00 -0.101410D+01  0.851718D+00 -0.192420D+00  0.503935D+00
      3   0.143401D-01 -0.192743D+01  0.149387D+01 -0.362701D+00 -0.533578D+00
               151           152           153           154           155 
      1  -0.183881D+01  0.209130D+01  0.580774D+01  0.263354D+01  0.126770D+01
      2  -0.414678D+01 -0.360585D+00 -0.101816D+01 -0.538509D+01  0.200302D+00
      3  -0.242996D+01  0.100737D+01  0.173055D+01 -0.496378D+01 -0.795076D+00
               156           157           158           159           160 
      1   0.233820D+01 -0.153949D+01  0.165555D+00 -0.357656D+01  0.254767D+01
      2  -0.337240D+00  0.104657D+01  0.184791D+00 -0.801475D+00 -0.282856D+01
      3  -0.235066D+01  0.390249D+01  0.601022D+00  0.736968D+00 -0.308875D+01
               161           162           163           164           165 
      1   0.144117D+01  0.439128D+01 -0.131924D+01 -0.613389D+00  0.115882D+01
      2  -0.257819D+00  0.217787D+01 -0.532763D+01  0.734577D+00  0.562123D+01
      3  -0.125449D+01 -0.197729D+01 -0.184098D+01 -0.357174D+01  0.603641D+00
               166           167           168           169           170 
      1   0.189887D+00 -0.337264D+00 -0.939074D+00  0.216763D+01  0.213691D+01
      2   0.672785D+00 -0.125207D+01  0.419019D+00  0.259830D+01 -0.409748D+01
      3  -0.358693D+01  0.278292D+00  0.182038D+01  0.316558D+01  0.409100D+01
               171           172           173           174           175 
      1  -0.616548D+01  0.917589D+00 -0.994888D+00  0.137839D+01 -0.153149D+01
      2  -0.205513D+02  0.518832D+01 -0.155864D+01  0.318948D+01 -0.283849D+01
      3   0.346423D+00  0.897311D+00 -0.720236D+01 -0.222573D+00 -0.449402D+01
               176           177           178           179           180 
      1   0.332983D+01 -0.330590D+01  0.166307D+01 -0.121586D+01  0.120249D+01
      2   0.596656D+01 -0.370306D+01  0.389733D+01 -0.430987D+01  0.946386D+00
      3   0.179954D+02 -0.215603D+01 -0.402284D+01 -0.683489D+01  0.198389D+01
               181           182           183           184           185 
      1  -0.269457D+01 -0.163234D+01  0.872971D+00 -0.119970D+01 -0.350948D+00
      2   0.816220D+01  0.700123D+00 -0.490010D+01  0.215185D+01  0.366503D+01
      3   0.258142D+01  0.275439D+01  0.480379D+00  0.552599D+01 -0.712858D+00
               186           187           188           189           190 
      1  -0.537933D+00  0.157449D+01  0.338999D+01 -0.415365D+01  0.746220D+00
      2  -0.564469D+00 -0.862896D+01 -0.837237D+00  0.302666D+02 -0.204267D+01
      3  -0.269881D+01  0.246352D+00 -0.373712D+01 -0.542243D+00 -0.264349D+02
               191           192           193           194           195 
      1   0.625130D+00  0.218814D+01  0.587089D-01 -0.862278D+00 -0.103562D+01
      2   0.517007D+00 -0.297467D+00  0.337481D+00  0.807437D+00  0.212744D+00
      3   0.642598D+01  0.365908D+00  0.650856D+01 -0.395058D+01 -0.116424D+01
               196           197           198           199           200 
      1   0.236887D+01  0.641767D+00  0.701451D+00  0.239486D+01 -0.209742D-01
      2  -0.347728D+01  0.111803D+01 -0.108797D+01 -0.337429D+01 -0.119187D+01
      3   0.640518D+00 -0.225429D+01 -0.281093D+01 -0.237116D+01 -0.344232D+01
               201           202           203           204           205 
      1  -0.299218D+01  0.270659D+00  0.124757D+01 -0.209812D+01 -0.305464D+01
      2   0.505654D+01 -0.388083D+00 -0.210272D+01  0.123871D+01  0.944530D+00
      3  -0.367948D+00 -0.569242D+00 -0.152872D+01  0.209449D+01 -0.207307D+01
               206           207           208           209           210 
      1  -0.193329D+00  0.150250D+02 -0.257489D+01 -0.210468D+01 -0.366876D+01
      2   0.604891D+01 -0.223559D+02  0.343011D+01  0.293826D+01  0.442830D+01
      3   0.685775D+01 -0.495404D+01 -0.490774D+01 -0.915162D+01 -0.619971D+00
               211           212           213           214           215 
      1  -0.347897D+01 -0.569238D+01 -0.577766D+01 -0.353025D+01 -0.343497D+01
      2   0.318631D+01  0.755410D+01  0.579008D+01  0.358499D+01  0.680615D+01
      3  -0.355792D+01 -0.193409D+02 -0.498030D+01 -0.978821D+00 -0.104276D+02
               216           217           218           219           220 
      1  -0.345672D+01  0.377328D+00 -0.380798D+00 -0.124895D+00  0.194090D+00
      2   0.417444D+01 -0.978757D+01  0.262093D+00  0.112544D+02  0.105590D-01
      3  -0.447957D+01 -0.416652D+00 -0.433765D+01 -0.406271D+00 -0.504005D+01
               221           222           223           224           225 
      1   0.666460D-01 -0.852682D+00 -0.778620D+00  0.245703D+01  0.112843D+01
      2  -0.250799D+01  0.333406D+00  0.162673D+02 -0.276741D+00 -0.353303D+02
      3   0.100219D+01  0.211214D+01 -0.933107D+00  0.594857D+01  0.756535D-01
               226           227           228           229           230 
      1  -0.886060D+00  0.833718D+00  0.348030D+00  0.984377D+00 -0.284489D+01
      2   0.444554D+01 -0.249890D+01  0.529317D+01 -0.418353D+01  0.107759D+02
      3   0.959592D+01 -0.109154D+02  0.312628D+01 -0.152599D+02  0.328058D+02
               231           232           233           234           235 
      1  -0.137881D+01 -0.367490D+00  0.201336D+01  0.762026D-01  0.396545D+00
      2  -0.958427D+01  0.712341D+01 -0.743909D+01  0.614227D+01  0.794415D+01
      3  -0.113313D+02  0.470113D+01 -0.129183D+02  0.728499D+01 -0.123058D+02
               236           237           238           239           240 
      1   0.890409D+00 -0.881499D+00  0.460610D+00  0.138715D+01 -0.148821D+01
      2   0.425993D+01  0.903262D+01  0.691866D+01  0.961866D+01  0.975537D+01
      3  -0.128155D+02 -0.494909D+01 -0.174655D+02 -0.209574D+02 -0.104367D+02
               241           242           243           244           245 
      1  -0.642208D+00  0.157958D+01 -0.655732D+00  0.114435D+00 -0.389085D+00
      2   0.114699D+02  0.733345D+01  0.872073D+01 -0.518356D+01 -0.549135D+00
      3  -0.727906D+01 -0.123171D+02 -0.741576D+01 -0.312767D+01 -0.228839D+01
               246           247           248           249           250 
      1  -0.667665D+00 -0.172327D+00  0.258051D+00 -0.177414D+01 -0.507580D+00
      2   0.381328D+01 -0.187219D+00 -0.299982D+01  0.557931D+01  0.126807D+01
      3   0.872930D-01 -0.114678D+01 -0.227415D+01  0.316414D+01 -0.694774D+00
               251           252           253           254           255 
      1   0.208094D+01  0.268970D+01 -0.187172D+01  0.842389D+00 -0.239057D+01
      2   0.459594D+01 -0.167742D+02  0.188339D+02  0.505245D+01  0.848227D+01
      3   0.461713D+01 -0.349388D+01 -0.159030D+02 -0.134066D+02 -0.947347D+00
               256           257           258           259           260 
      1  -0.135931D+01 -0.591003D+01 -0.603348D+01 -0.123407D+01 -0.119144D+01
      2   0.486019D+01 -0.673881D+00  0.867334D+01  0.610971D+01  0.970171D+01
      3  -0.458158D+01  0.248171D+02  0.157686D+01  0.795550D+00 -0.215525D+01
               261           262           263           264           265 
      1   0.814003D+01  0.290754D-01  0.489473D+00  0.975844D+00  0.593017D+00
      2  -0.155276D+02  0.156629D+01 -0.115173D+01  0.186293D+01 -0.224019D+01
      3  -0.694148D+01  0.362226D+01 -0.480022D+01  0.171039D+01 -0.879068D+01
               266           267           268           269           270 
      1  -0.336172D+01 -0.358608D+01 -0.444506D+00  0.528879D+00 -0.343775D+00
      2   0.566732D+01 -0.622486D+01  0.538908D+00 -0.172277D+01  0.229351D+01
      3   0.305623D+02 -0.647564D+01 -0.704291D+00  0.172550D+01  0.210667D+01
               271           272           273           274           275 
      1  -0.189747D+01 -0.755190D+00  0.468162D+00 -0.124021D+00 -0.265102D+01
      2   0.454313D+01  0.177036D+00 -0.227598D+01  0.126488D+01  0.338953D+01
      3   0.219741D+01  0.107464D+01  0.101593D+01  0.695538D+00  0.107036D+01
               276           277           278           279           280 
      1   0.217087D+01 -0.269680D+00  0.462536D+01 -0.105567D+02  0.854439D+00
      2  -0.568631D+01 -0.223790D+01 -0.247401D+01  0.244690D+02 -0.913948D+01
      3  -0.283867D+01  0.117543D+01 -0.440514D+01  0.283780D+01  0.148058D+02
               281           282           283           284           285 
      1   0.744535D+00 -0.194504D+01  0.103256D+01  0.552604D+00  0.585348D-01
      2  -0.251940D+00  0.761579D+01 -0.910795D+00 -0.107476D+01 -0.116918D+01
      3  -0.606565D+01 -0.704095D+00 -0.449738D+01 -0.898359D+00  0.276373D+00
               286           287           288           289           290 
      1  -0.189978D+01  0.865898D+00 -0.142950D+00  0.112977D+01 -0.670750D+00
      2   0.429973D+01 -0.693114D+00 -0.364419D+00 -0.809561D+00 -0.208063D+01
      3  -0.117703D+01  0.160527D+01  0.204579D+01 -0.485190D+01  0.763424D+01
               291           292           293           294           295 
      1   0.148457D+01 -0.411150D+00  0.604181D+01 -0.361743D+01  0.722878D+00
      2  -0.159398D+01 -0.931628D+00  0.443415D+01  0.379710D+01 -0.165905D+01
      3   0.594901D+00  0.434618D+01 -0.333155D+02 -0.288294D+01 -0.755446D+00
               296           297 
      1  -0.426352D+00 -0.109945D+00
      2   0.263409D+01  0.154973D+01
      3   0.110378D+01 -0.278436D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194712D+01 -0.866368D+01  0.202347D+02  0.183808D+02 -0.329800D+01
      2   0.604793D+01  0.409637D+01 -0.753419D+01 -0.439416D+01  0.404334D+01
      3  -0.410081D+01  0.456731D+01 -0.127006D+02 -0.139867D+02 -0.745340D+00
      4  -0.382172D+01  0.371860D+01 -0.534563D+00  0.921313D+01  0.442420D+01
      5   0.160188D+02  0.123295D+01 -0.792966D+01 -0.423491D+01 -0.272630D+01
      6   0.175348D+01 -0.322329D+01 -0.580016D+00 -0.124483D+01  0.408948D+01
                 6             7             8             9            10 
      1  -0.166555D+02 -0.253597D+02 -0.103366D+02  0.571729D+01  0.583160D+02
      2   0.122889D+01  0.320827D+01  0.206941D+01  0.441339D+01 -0.224682D+02
      3   0.154266D+02  0.221514D+02  0.826722D+01 -0.101307D+02 -0.358479D+02
      4  -0.396040D+01  0.256028D+01 -0.193540D+01 -0.539474D+01 -0.111005D+02
      5  -0.479986D+01  0.730220D+01 -0.464658D+01  0.683174D+01 -0.206016D+01
      6   0.121471D+02 -0.652463D+01  0.461532D+01  0.137014D+02  0.823680D+00
                11            12            13            14            15 
      1   0.766774D+01 -0.502134D+00  0.109838D+02 -0.591401D+00  0.610304D+01
      2  -0.613479D+01  0.297688D+01 -0.112995D+02  0.720536D+01 -0.569445D+00
      3  -0.153295D+01 -0.247475D+01  0.315643D+00 -0.661396D+01 -0.553359D+01
      4   0.143910D+01 -0.374254D+01  0.177947D+02 -0.518034D+01 -0.154433D+01
      5  -0.426385D+01  0.748947D+01  0.100971D+02 -0.744119D+00 -0.210104D+01
      6   0.519666D+00 -0.591788D+01 -0.494638D+01  0.373551D+01  0.761907D+01
                16            17            18            19            20 
      1  -0.971606D+01  0.724509D+01 -0.181879D+02 -0.239542D+01  0.576405D+01
      2   0.162962D+00  0.342590D+01  0.169379D+01 -0.425203D+00 -0.289954D+01
      3   0.955310D+01 -0.106710D+02  0.164942D+02  0.282063D+01 -0.286451D+01
      4   0.148832D+02  0.414425D+00 -0.715854D+00  0.474780D+01 -0.139348D+01
      5  -0.133375D+02 -0.182865D+01 -0.349379D+01 -0.140369D+02  0.215965D+01
      6  -0.481254D+01  0.233588D+01 -0.447465D+01  0.138389D+01  0.440947D+01
                21            22            23            24            25 
      1  -0.247742D+02 -0.118785D+02 -0.421087D+01 -0.713590D+01  0.257724D+02
      2   0.656038D+01 -0.145456D+01  0.558576D+01  0.356757D+00 -0.201749D+01
      3   0.182138D+02  0.133331D+02 -0.137489D+01  0.677915D+01 -0.237549D+02
      4   0.225623D+01  0.515953D+01 -0.192839D+01  0.378769D+01  0.302050D+01
      5  -0.375382D+01  0.767067D+00  0.235385D+01  0.752998D+01  0.827582D+01
      6   0.521300D+01  0.164840D+01  0.315334D+01  0.801920D+01  0.116773D+02
                26            27            28            29            30 
      1  -0.891876D+01  0.750169D+01  0.253350D+02 -0.432438D+01  0.244923D+01
      2   0.212245D+01 -0.120140D+01 -0.798670D+01  0.638885D+01  0.510147D+00
      3   0.679631D+01 -0.630029D+01 -0.173483D+02 -0.206447D+01 -0.295938D+01
      4   0.448512D+01  0.721553D+01  0.164845D+02  0.336474D+01 -0.164324D+01
      5   0.599695D+01 -0.489121D+01  0.163428D+01 -0.101974D+01  0.881462D+01
      6   0.193921D+01  0.105564D+02  0.575836D+01 -0.981153D+00  0.521814D+01
                31            32            33            34            35 
      1  -0.439956D+01 -0.996319D+00  0.865949D+01 -0.905834D+01  0.951756D+01
      2   0.928887D+01  0.531755D+01 -0.249290D+01  0.281706D+01  0.175674D+01
      3  -0.488931D+01 -0.432123D+01 -0.616659D+01  0.624128D+01 -0.112743D+02
      4   0.168376D+02  0.564403D+00  0.157479D+01  0.112857D+02  0.553677D+01
      5   0.137635D+02 -0.334339D+00  0.173927D+01 -0.160902D+02  0.420454D+01
      6  -0.168674D+01  0.336077D+01  0.645767D+01 -0.719295D+00  0.196072D+01
                36            37            38            39            40 
      1  -0.204376D+02  0.915559D+01 -0.107535D+02  0.226838D+02  0.513502D+01
      2   0.373896D+01  0.419582D+00  0.911445D+01 -0.116799D+02  0.377179D+01
      3   0.166987D+02 -0.957518D+01  0.163903D+01 -0.110040D+02 -0.890681D+01
      4   0.195627D+01 -0.809664D+01 -0.415824D+00  0.337978D+01  0.150763D+02
      5  -0.899381D+00  0.152722D+02  0.170595D+01 -0.964154D+01  0.734931D+00
      6  -0.636893D+01 -0.164622D+01 -0.482619D+01  0.507113D+01 -0.196620D+00
                41            42            43            44            45 
      1  -0.115236D+02 -0.572402D+01 -0.214459D+02 -0.403219D+01  0.102845D+02
      2   0.167526D+02 -0.102978D+02  0.268396D+01 -0.276994D+01 -0.156522D+01
      3  -0.522901D+01  0.160218D+02  0.187620D+02  0.680213D+01 -0.871931D+01
      4   0.705139D+01 -0.285482D+01 -0.139765D+01 -0.291368D+01 -0.686439D+01
      5  -0.173615D+01 -0.296461D+01  0.104681D+02 -0.718956D+01  0.754927D+01
      6  -0.649238D+01  0.620434D+01 -0.119038D+02  0.511577D+00  0.863462D+01
                46            47            48            49            50 
      1  -0.915206D+01  0.887651D+01 -0.242832D+02 -0.623467D+01 -0.156974D+02
      2   0.357553D+01 -0.730095D+01  0.851383D+01 -0.543104D+01  0.210766D+02
      3   0.557654D+01 -0.157556D+01  0.157693D+02  0.116657D+02 -0.537920D+01
      4   0.837923D+01  0.100745D+00  0.579846D+01  0.459888D+01 -0.670358D+01
      5  -0.155711D+02  0.537347D+01 -0.350128D+01  0.582716D+01  0.251148D+01
      6   0.449497D+01  0.461876D+01 -0.436072D+01  0.274142D+00 -0.600512D+01
                51            52            53            54            55 
      1   0.270270D+01  0.388604D+02 -0.405185D+01  0.903131D+01 -0.463501D+02
      2  -0.106849D+02 -0.999446D+01 -0.405840D+00 -0.410555D+01  0.154696D+02
      3   0.798215D+01 -0.288659D+02  0.445769D+01 -0.492577D+01  0.308805D+02
      4   0.202876D+01 -0.336522D+01 -0.166393D+00  0.690030D+01  0.363922D+01
      5   0.601355D+01  0.409794D+01  0.687677D+01 -0.787785D+01 -0.349418D+01
      6   0.389338D+01  0.112336D+02 -0.293848D+01  0.768798D+01  0.213834D+01
                56            57            58            59            60 
      1  -0.897131D+01 -0.289988D+01 -0.437727D+02 -0.309533D+02 -0.446509D+01
      2   0.670963D+01 -0.197129D+01  0.297191D+02  0.423564D+01  0.506783D+01
      3   0.226168D+01  0.487117D+01  0.140536D+02  0.267177D+02 -0.602743D+00
      4  -0.247166D+02  0.384488D-01 -0.539348D+02  0.259965D+02 -0.128971D+02
      5  -0.345797D+00 -0.109551D+02 -0.492114D+01 -0.135131D+02  0.179109D+01
      6   0.284870D+00  0.184381D+01 -0.168199D+01  0.466188D+01 -0.483215D+00
                61            62            63            64            65 
      1  -0.319917D+02 -0.752626D+01 -0.810183D+01 -0.467407D+02  0.138705D+02
      2   0.519480D+01  0.699330D+01  0.118621D+02  0.308924D+02 -0.230724D+01
      3   0.267969D+02  0.532959D+00 -0.376030D+01  0.158483D+02 -0.115632D+02
      4  -0.485976D+01 -0.219238D+02  0.781943D+01  0.150664D+02  0.288935D+02
      5  -0.259621D+02  0.500167D+01  0.386186D+02 -0.264585D+01  0.306722D+01
      6   0.407139D+01 -0.220039D+01 -0.647561D+01  0.706951D+00 -0.224568D+01
                66            67            68            69            70 
      1  -0.402456D+01  0.577448D+02  0.501203D+02 -0.956760D-01  0.203539D+02
      2  -0.895727D+00 -0.245132D+02 -0.263456D+02  0.208626D+01 -0.764538D+01
      3   0.492028D+01 -0.332316D+02 -0.237747D+02 -0.199058D+01 -0.127085D+02
      4   0.243600D+01  0.488275D+02 -0.120717D+02  0.164833D+02  0.674432D+01
      5   0.183979D+02  0.840206D+01  0.190982D+02  0.206816D+01  0.356072D+02
      6   0.331742D+01  0.340828D+01  0.445632D+01 -0.432969D+00  0.297721D+01
                71            72            73            74            75 
      1   0.208187D+01  0.348812D+02  0.528173D+02 -0.675001D+01 -0.626573D+01
      2   0.350087D+01 -0.901189D+01 -0.365286D+02 -0.779488D+01 -0.974424D+00
      3  -0.558274D+01 -0.258693D+02 -0.162887D+02  0.145449D+02  0.724015D+01
      4   0.206106D+02  0.457965D+01 -0.333958D+01 -0.303958D+02 -0.740900D+01
      5   0.371858D+01 -0.553622D+02 -0.584339D+01 -0.564475D+01 -0.128506D+02
      6   0.434235D+01 -0.713322D+01 -0.646704D+01 -0.231936D+01 -0.921057D+01
                76            77            78            79            80 
      1  -0.111449D+02 -0.310214D+02  0.368589D+01 -0.112823D+02  0.294059D+01
      2  -0.723106D+01  0.106756D+02 -0.122014D+02 -0.230429D+01 -0.156149D+02
      3   0.183759D+02  0.203458D+02  0.851547D+01  0.135866D+02  0.126743D+02
      4  -0.360311D+02 -0.152527D+02 -0.212611D+02 -0.850754D+01 -0.306742D+02
      5  -0.644336D+01 -0.209570D+02 -0.770694D+01 -0.210396D+02 -0.141942D+02
      6  -0.560422D+01 -0.169110D+02 -0.376215D+01 -0.109264D+02 -0.859609D+01
                81            82            83            84            85 
      1  -0.912045D+01  0.581887D+02 -0.165733D+02 -0.325504D+01 -0.309078D+02
      2   0.850507D+01 -0.313686D+02  0.739154D+01  0.183429D+00  0.139344D+02
      3   0.615380D+00 -0.268200D+02  0.918176D+01  0.307161D+01  0.169734D+02
      4  -0.192117D+02 -0.198862D+02 -0.395191D+02 -0.586642D+01 -0.627848D+02
      5   0.397341D+02 -0.682588D+01 -0.642298D+01 -0.329960D+02 -0.111487D+02
      6   0.196255D+02 -0.181236D+01 -0.526532D+01 -0.232737D+01 -0.100045D+02
                86            87            88            89            90 
      1  -0.546600D+02 -0.625861D+01 -0.138691D+02 -0.611375D+01 -0.453534D+02
      2   0.268929D+02  0.196506D+01  0.338807D+01  0.171101D+01  0.246703D+02
      3   0.277671D+02  0.429354D+01  0.104810D+02  0.440275D+01  0.206831D+02
      4   0.202564D+02 -0.424720D+02 -0.105407D+02 -0.415690D+02 -0.423227D+01
      5  -0.459780D+02 -0.307873D+01 -0.538351D+02 -0.300417D+01  0.475554D+02
      6   0.150052D+00 -0.554999D+01 -0.377671D+01 -0.585932D+01  0.159485D+01
                91            92            93            94            95 
      1   0.254571D+01 -0.178323D+01 -0.666502D+01 -0.129460D+01 -0.199324D+02
      2  -0.488253D+01 -0.180272D+01  0.120514D+01  0.554470D+01  0.929733D+01
      3   0.233682D+01  0.358596D+01  0.545988D+01 -0.425011D+01  0.106351D+02
      4  -0.149763D+02 -0.170109D+02 -0.432143D+01 -0.443161D+02  0.189331D+02
      5  -0.178661D+02 -0.264921D+01 -0.110256D+02 -0.131121D+02 -0.655497D+01
      6  -0.111431D+01 -0.624155D+01 -0.696461D+01 -0.169696D+01  0.254869D+01
                96            97            98            99           100 
      1  -0.782192D+01 -0.177235D+02 -0.899779D+01 -0.452688D+01  0.500151D+01
      2   0.392444D+01  0.289892D+01 -0.380465D+00  0.592050D+01 -0.105391D+01
      3   0.389748D+01  0.148245D+02  0.937826D+01 -0.139362D+01 -0.394760D+01
      4  -0.648427D+01 -0.217948D+02 -0.709983D+01 -0.233482D+02  0.109703D+02
      5  -0.199766D+02 -0.210570D+02 -0.221218D+02  0.223435D+02  0.142279D+02
      6  -0.401414D+01 -0.103073D+02 -0.563649D+01  0.816735D+01 -0.680293D+01
               101           102           103           104           105 
      1   0.307118D+01  0.500695D+01  0.176466D+02  0.616893D+01  0.631314D+00
      2  -0.100471D+01 -0.345841D+01 -0.164390D+02  0.995921D+00  0.432012D+01
      3  -0.206647D+01 -0.154854D+01 -0.120753D+01 -0.716485D+01 -0.495144D+01
      4   0.190574D+01 -0.480957D+01  0.149851D+01 -0.141652D+02  0.104612D+02
      5  -0.629863D+01 -0.553179D+01 -0.141461D+02  0.127740D+02  0.364841D+02
      6   0.483983D+01  0.794573D+01  0.689212D+01 -0.117376D+02 -0.191621D+02
               106           107           108           109           110 
      1   0.189911D+02 -0.249707D+01 -0.113500D+01  0.227495D+02 -0.147788D+02
      2  -0.127867D+01 -0.884124D+01  0.431966D+01 -0.135271D+02  0.675103D+01
      3  -0.177124D+02  0.113383D+02 -0.318466D+01 -0.922243D+01  0.802776D+01
      4  -0.169176D+02  0.327035D+02  0.264334D+02 -0.208940D+02  0.178416D+02
      5  -0.234464D+02  0.275656D+02  0.186760D+02 -0.311207D+02  0.964918D+01
      6   0.151367D+02 -0.228703D+02 -0.124235D+02  0.117571D+02 -0.327134D+01
               111           112           113           114           115 
      1  -0.231512D+02 -0.175962D+02 -0.555100D+01 -0.570156D+01 -0.333044D+02
      2   0.150808D+02  0.577441D+01  0.149966D+02  0.337473D+01  0.186805D+02
      3   0.807044D+01  0.118218D+02 -0.944564D+01  0.232683D+01  0.146239D+02
      4   0.124334D+02  0.302339D+02 -0.337569D+02 -0.249032D+02  0.291332D+02
      5   0.228335D+02  0.202389D+02 -0.273555D+02 -0.303892D+02  0.411897D+02
      6  -0.541856D+01 -0.927824D+01  0.244245D+02  0.264927D+02 -0.164632D+02
               116           117           118           119           120 
      1  -0.248258D+01 -0.370429D+01  0.876299D+01 -0.418897D+01  0.123179D+02
      2   0.620459D+01 -0.163649D+02 -0.796556D+01  0.914787D+01 -0.852055D+01
      3  -0.372202D+01  0.200692D+02 -0.797430D+00 -0.495890D+01 -0.379734D+01
      4  -0.365065D+02 -0.275873D+02  0.131208D+01 -0.950858D+01 -0.237569D+01
      5  -0.309489D+02 -0.696025D+02  0.106239D+02  0.190346D+01  0.771897D+01
      6   0.282360D+02  0.361521D+02 -0.354049D+01 -0.234841D+01 -0.145077D+01
               121           122           123           124           125 
      1  -0.235881D+00 -0.574068D+01  0.409461D+01  0.197435D+02  0.134252D+01
      2   0.112555D+02 -0.173647D+02 -0.258414D+00 -0.115046D+02 -0.129621D+01
      3  -0.110196D+02  0.231053D+02 -0.383620D+01 -0.823887D+01 -0.463153D-01
      4  -0.209268D+02  0.515325D+02 -0.105495D+01 -0.860515D+01  0.802059D+01
      5   0.323040D+01 -0.140573D+01 -0.233857D+01  0.175676D+02 -0.112163D+02
      6  -0.500213D+01  0.421018D+01  0.712588D+01 -0.427192D+01  0.134590D+02
               126           127           128           129           130 
      1  -0.138066D+01 -0.938836D+00 -0.603898D-01  0.347336D+01 -0.282571D+01
      2  -0.772764D+01 -0.547625D+01 -0.127696D+01  0.571528D+01 -0.543241D+00
      3   0.910829D+01  0.641509D+01  0.133735D+01 -0.918864D+01  0.336896D+01
      4  -0.104840D+02  0.961817D+00  0.245335D+01 -0.774940D+00  0.124791D+01
      5   0.313946D+02 -0.985655D+01 -0.257509D+01  0.125889D+02 -0.280810D+01
      6  -0.170045D+02  0.353157D+00 -0.160008D+01 -0.584165D+00 -0.105408D+01
               131           132           133           134           135 
      1  -0.354903D+01  0.786452D+01  0.405330D+01  0.463727D+01 -0.247917D+02
      2  -0.538523D+00  0.316612D+01  0.704835D+01  0.216806D+01 -0.149798D+02
      3   0.408755D+01 -0.110306D+02 -0.111017D+02 -0.680533D+01  0.397714D+02
      4   0.121215D+01 -0.143748D+01 -0.171181D+01 -0.302973D+01  0.190250D+01
      5  -0.280824D+01  0.464228D+01  0.122579D+02  0.412234D+01 -0.199832D+02
      6  -0.294978D+01  0.249394D+01  0.909301D+00  0.534021D+01 -0.221172D+01
               136           137           138           139           140 
      1   0.301096D+01  0.290923D+00 -0.114431D+01  0.536691D+00 -0.170810D+01
      2  -0.580784D+01  0.894672D+00 -0.478982D+01  0.217976D+01 -0.514101D+00
      3   0.279688D+01 -0.118560D+01  0.593414D+01 -0.271646D+01  0.222221D+01
      4  -0.142911D+01  0.356826D+01 -0.105239D+01  0.253702D+01 -0.319608D+01
      5   0.122914D+02 -0.281085D+01  0.106814D+02 -0.440567D+01  0.316743D+01
      6  -0.596133D+00  0.172666D+01 -0.789444D+00  0.827823D+00 -0.278386D+01
               141           142           143           144           145 
      1   0.534575D+01 -0.386765D+01  0.393652D+01 -0.135197D+02 -0.285663D+01
      2   0.254195D+01 -0.598717D+01  0.132855D+01 -0.948337D+01 -0.265698D+01
      3  -0.788770D+01  0.985482D+01 -0.526507D+01  0.230030D+02  0.551361D+01
      4   0.127786D+01 -0.169373D+01  0.283028D+01 -0.241429D+01  0.573608D+01
      5  -0.647984D+01  0.133206D+02 -0.445578D+01  0.172466D+02 -0.926838D+01
      6   0.224970D+01 -0.181253D+01  0.469696D+01 -0.342773D+01 -0.602424D+01
               146           147           148           149           150 
      1  -0.185062D+01  0.557203D+01 -0.304758D+01 -0.500126D+01  0.876742D+01
      2   0.359767D+00  0.270464D+01 -0.313082D+00  0.129315D+01  0.136411D+00
      3   0.149085D+01 -0.827668D+01  0.336066D+01  0.370811D+01 -0.890383D+01
      4   0.374762D+01 -0.557617D+01  0.269281D+01  0.202253D+01 -0.311786D+01
      5  -0.372151D+01  0.120190D+02 -0.356872D+01 -0.292471D+01  0.433128D+01
      6  -0.361463D+01  0.653008D+01 -0.327227D+01 -0.566934D+01  0.902816D+01
               151           152           153           154           155 
      1   0.781445D+01  0.110634D+02 -0.297985D+02  0.231940D+01  0.249652D+01
      2   0.208914D+01 -0.284095D+01 -0.542472D+01 -0.334310D+01 -0.202571D+01
      3  -0.990359D+01 -0.822245D+01  0.352232D+02  0.102370D+01 -0.470814D+00
      4  -0.569373D+01 -0.535525D+01  0.822977D+01 -0.104142D+02  0.724648D+01
      5   0.108278D+02  0.549911D+01 -0.179022D+02  0.155602D+02 -0.598422D+01
      6   0.853930D+01  0.127444D+02 -0.236473D+02 -0.893933D+01  0.573534D+01
               156           157           158           159           160 
      1  -0.221415D+01  0.645549D+00 -0.401727D+01  0.551200D+01 -0.468391D+01
      2  -0.231814D+01  0.872649D+00  0.209349D+01 -0.185371D+00 -0.271078D+01
      3   0.453228D+01 -0.151820D+01  0.192378D+01 -0.532663D+01  0.739469D+01
      4  -0.830723D+01  0.485074D+01 -0.524758D+01  0.578242D+01 -0.872290D+01
      5   0.144334D+02 -0.750189D+01  0.504580D+01 -0.772721D+01  0.156108D+02
      6  -0.889295D+01  0.546455D+01 -0.622660D+01  0.863291D+01 -0.106741D+02
               161           162           163           164           165 
      1   0.840996D+01 -0.167151D+02  0.876534D+01  0.238018D+00 -0.759601D+01
      2  -0.344214D+01 -0.309856D+01 -0.825935D+01 -0.554864D+00  0.653741D+01
      3  -0.496782D+01  0.198137D+02 -0.505988D+00  0.316846D+00  0.105860D+01
      4   0.720827D+01 -0.108882D+02 -0.222300D+01  0.723888D+01  0.430630D+01
      5  -0.784638D+01  0.212938D+02 -0.141796D+02  0.286784D+01  0.152200D+02
      6   0.117661D+02 -0.191038D+02  0.234264D+01 -0.138837D+01 -0.233748D+01
               166           167           168           169           170 
      1   0.869560D+01  0.206608D+01 -0.180473D+01 -0.151831D+02 -0.299438D+01
      2  -0.534105D+01 -0.778852D+00  0.133304D+01  0.137747D+02  0.378883D+00
      3  -0.335454D+01 -0.128722D+01  0.471695D+00  0.140843D+01  0.261550D+01
      4   0.791686D+01 -0.401908D+01 -0.476894D+01  0.602394D+01 -0.856882D+01
      5  -0.283973D+00 -0.500019D+01  0.595783D+00  0.228044D+02 -0.868373D+01
      6  -0.176343D+01  0.155879D+01  0.532567D+01 -0.531625D+01  0.628592D+01
               171           172           173           174           175 
      1  -0.440276D+01  0.229777D+02 -0.913904D+01  0.406079D+01 -0.150409D+02
      2  -0.135641D+02 -0.467606D+01 -0.442868D+00 -0.921384D+00 -0.300751D+01
      3   0.179669D+02 -0.183016D+02  0.958191D+01 -0.313941D+01  0.180484D+02
      4  -0.114622D+02 -0.225375D+02  0.242893D+02 -0.201763D+01  0.366760D+02
      5  -0.448410D+02  0.542179D+01 -0.845755D+00  0.497229D+01 -0.187199D+01
      6   0.119531D+02 -0.146462D+01  0.116145D+00 -0.124117D+01  0.113545D+01
               176           177           178           179           180 
      1   0.767869D+00  0.311952D+00  0.211533D+02  0.120078D+01  0.180757D+01
      2   0.208368D+02 -0.279912D+01 -0.647245D+01 -0.473291D+01 -0.131070D+00
      3  -0.216047D+02  0.248717D+01 -0.146808D+02  0.353214D+01 -0.167650D+01
      4  -0.523105D+02  0.692876D+01 -0.998855D+01  0.163173D+02 -0.934760D+01
      5   0.641354D+01 -0.592428D+01  0.977464D+01 -0.818813D+01  0.271782D+01
      6  -0.215007D+01  0.455731D+01 -0.387093D+01  0.583159D+01 -0.242754D+01
               181           182           183           184           185 
      1  -0.296884D+01 -0.274631D+01  0.118680D+02 -0.922162D+01 -0.117976D+02
      2  -0.233945D+01  0.538805D+00 -0.335570D+01  0.398085D+01  0.526196D+01
      3   0.530829D+01  0.220750D+01 -0.851232D+01  0.524076D+01  0.653563D+01
      4  -0.455712D+01 -0.443934D+01  0.127543D+00 -0.367688D+01  0.103692D+01
      5   0.757614D+01 -0.358066D+00 -0.277710D+01  0.910101D+00  0.432895D+01
      6   0.137607D+01 -0.607906D-02 -0.168777D+01 -0.495355D+00  0.317012D+00
               186           187           188           189           190 
      1  -0.377762D+00  0.211299D+02 -0.734688D+00 -0.241697D+02 -0.552309D+02
      2   0.945772D+00 -0.932810D+01  0.124107D+01 -0.864157D+01  0.317146D+02
      3  -0.568011D+00 -0.118018D+02 -0.506377D+00  0.328112D+02  0.235164D+02
      4   0.392849D+01  0.161872D+01  0.653219D+01 -0.167652D+01 -0.171921D+02
      5  -0.474717D+00 -0.479721D+00 -0.148266D+00  0.517527D+02  0.245694D+01
      6   0.658341D+01 -0.290827D+00  0.339837D+01  0.725209D+01  0.237230D+01
               191           192           193           194           195 
      1   0.147800D+02  0.165399D+01  0.691048D+01 -0.100061D+02 -0.620950D+00
      2  -0.150097D+02 -0.672488D+00 -0.759102D+01  0.954421D+01  0.152034D+01
      3   0.229714D+00 -0.981502D+00  0.680542D+00  0.461884D+00 -0.899389D+00
      4  -0.454496D+01  0.232208D+01  0.194055D+01 -0.346759D+00  0.222240D+01
      5   0.133221D+01 -0.170633D+01  0.464060D-01  0.251502D+01  0.719298D+00
      6   0.392359D+00 -0.323710D+01  0.758720D+00  0.116742D+01  0.195323D+01
               196           197           198           199           200 
      1   0.327292D+01 -0.240034D+01 -0.542018D+01  0.265338D+01  0.173417D+01
      2  -0.966083D+00  0.306797D+01  0.225267D+01 -0.197546D+01  0.164864D+01
      3  -0.230684D+01 -0.667633D+00  0.316750D+01 -0.677916D+00 -0.338281D+01
      4   0.111308D+01  0.389079D+01  0.182145D+01  0.596425D+01  0.965689D+01
      5   0.124109D+01  0.284482D+01 -0.329566D+01 -0.104465D+02 -0.368121D+01
      6  -0.220970D+01  0.371488D+01 -0.117132D+01 -0.406804D+01 -0.199792D+01
               201           202           203           204           205 
      1  -0.708920D+01 -0.996770D+00 -0.294969D+00  0.260512D+01 -0.107461D+02
      2   0.540214D+01  0.255170D+01  0.181175D+01 -0.275313D+01  0.778013D+01
      3   0.168706D+01 -0.155493D+01 -0.151678D+01  0.148015D+00  0.296594D+01
      4  -0.577695D+01  0.622349D+01  0.671346D+01 -0.533240D+01 -0.890463D+01
      5   0.141977D+02 -0.735449D+00 -0.562263D+01  0.335987D+01  0.159682D+02
      6   0.544435D+01 -0.164952D+01 -0.329836D+01  0.749756D+01  0.746802D+01
               206           207           208           209           210 
      1   0.561399D+01 -0.653021D+01  0.132573D+02  0.952073D+01  0.551344D+01
      2  -0.535904D+01 -0.856927D+01  0.255706D+01  0.788834D+01 -0.470223D-01
      3  -0.254950D+00  0.150995D+02 -0.158143D+02 -0.174091D+02 -0.546642D+01
      4  -0.136375D+02  0.167208D+02  0.268754D+02  0.341432D+02  0.831185D+01
      5   0.143621D+02 -0.497727D+02  0.794364D+01  0.583293D+01  0.866150D+01
      6   0.123826D+02 -0.283482D+02  0.512606D+01  0.449867D+01  0.590791D+01
               211           212           213           214           215 
      1   0.818929D+01 -0.281443D+01 -0.115260D+01  0.950626D+01 -0.234259D+01
      2   0.922869D+01  0.320960D+02  0.815732D+01 -0.215553D+00  0.127472D+02
      3  -0.174180D+02 -0.292816D+02 -0.700471D+01 -0.929070D+01 -0.104046D+02
      4   0.342385D+02  0.573502D+02  0.156092D+02  0.160059D+02  0.274646D+02
      5   0.673218D+01  0.140738D+02  0.104037D+02  0.114276D+02  0.141755D+02
      6   0.574490D+01  0.126239D+02  0.985600D+01  0.771360D+01  0.126170D+02
               216           217           218           219           220 
      1   0.119038D+01  0.269460D+02  0.975322D+00 -0.202835D+02  0.326868D+01
      2   0.273174D+01 -0.157209D+02 -0.354234D+00  0.115399D+02 -0.132155D+01
      3  -0.392212D+01 -0.112251D+02 -0.621088D+00  0.874353D+01 -0.194713D+01
      4   0.161145D+02  0.196035D+01  0.827958D+01  0.290936D+00  0.152744D+02
      5   0.902514D+01 -0.213148D+02  0.768088D+00  0.237954D+02  0.362839D+00
      6   0.813987D+01 -0.457352D+00  0.306146D+00  0.537992D+00 -0.978161D+00
               221           222           223           224           225 
      1   0.106353D+02  0.755927D+00 -0.495057D+02  0.194774D+01  0.299456D+02
      2  -0.534908D+01 -0.711406D+00  0.290482D+02 -0.160051D+01 -0.235889D+02
      3  -0.528624D+01 -0.445207D-01  0.204575D+02 -0.347233D+00 -0.635670D+01
      4  -0.174406D+01 -0.506259D+01  0.920524D-01 -0.104541D+02  0.616921D+00
      5  -0.476193D+01  0.689913D+00  0.432359D+02 -0.439454D+00 -0.691466D+02
      6  -0.506766D+00  0.417556D+01  0.180007D+01  0.391470D+01 -0.230472D+01
               226           227           228           229           230 
      1   0.248317D+02 -0.205591D+02  0.104279D+02 -0.436763D+02  0.300311D+02
      2  -0.120852D+02  0.994496D+01 -0.558871D+01  0.214939D+02 -0.101508D+02
      3  -0.127465D+02  0.106141D+02 -0.483920D+01  0.221824D+02 -0.198803D+02
      4  -0.210798D+02  0.231726D+02 -0.688015D+01  0.409738D+02 -0.631420D+02
      5   0.122522D+02 -0.779881D+01  0.116831D+02 -0.149343D+02  0.243408D+02
      6  -0.255667D+01  0.206182D+01 -0.923828D+00  0.464740D+01 -0.747048D+01
               231           232           233           234           235 
      1  -0.906380D+01  0.206237D+02 -0.758732D+01  0.140075D+02  0.561826D+02
      2   0.552538D+01 -0.118413D+02  0.509954D+01 -0.100111D+02 -0.270066D+02
      3   0.353842D+01 -0.878233D+01  0.248778D+01 -0.399634D+01 -0.291760D+02
      4   0.226884D+02 -0.112330D+02  0.241870D+02 -0.147244D+02  0.333312D+02
      5  -0.190942D+02  0.217813D+02 -0.160792D+02  0.141599D+02  0.243248D+02
      6   0.578117D+01 -0.245796D+01  0.622344D+01 -0.429116D+01  0.538541D+01
               236           237           238           239           240 
      1   0.273878D+02  0.189447D+02  0.574882D+02  0.300578D+02  0.134388D+02
      2  -0.122427D+02 -0.100135D+02 -0.254845D+02 -0.871789D+01 -0.656802D+01
      3  -0.151451D+02 -0.893121D+01 -0.320037D+02 -0.213399D+02 -0.687082D+01
      4   0.274060D+02  0.119160D+02  0.468911D+02  0.433240D+02  0.221207D+02
      5   0.124125D+02  0.196212D+02  0.224004D+02  0.228259D+02  0.204224D+02
      6   0.340630D+01  0.297879D+01  0.734079D+01  0.762393D+01  0.664683D+01
               241           242           243           244           245 
      1   0.358584D+02  0.115177D+02  0.208600D+02  0.200445D+01  0.388237D+01
      2  -0.193896D+02 -0.564086D+01 -0.135407D+02 -0.355680D+01 -0.210516D+01
      3  -0.164688D+02 -0.587683D+01 -0.731933D+01  0.155235D+01 -0.177721D+01
      4   0.191326D+02  0.239001D+02  0.164403D+02  0.654929D+01  0.714847D+01
      5   0.330200D+02  0.169640D+02  0.208560D+02 -0.110533D+02 -0.289173D+01
      6   0.607786D+01  0.683946D+01  0.608451D+01 -0.458125D+01 -0.612704D+00
               246           247           248           249           250 
      1  -0.620618D+01  0.424606D+01  0.334119D-01  0.205457D+01 -0.813409D+01
      2   0.451776D+01 -0.180132D+01  0.119083D+01 -0.160930D+01  0.755342D+01
      3   0.168842D+01 -0.244474D+01 -0.122424D+01 -0.445265D+00  0.580668D+00
      4  -0.378412D+01  0.107284D+02  0.718880D+01 -0.767325D+01 -0.642137D+01
      5   0.120469D+02 -0.398758D+01 -0.781278D+01  0.113086D+02  0.163535D+02
      6   0.268624D+01 -0.224838D+01 -0.626217D+01  0.815782D+01  0.437583D+01
               251           252           253           254           255 
      1   0.228962D+01 -0.441288D+01 -0.880238D+02 -0.955710D+01  0.615805D+01
      2   0.734324D+00 -0.906304D+01  0.438034D+02  0.133292D+02 -0.464936D+01
      3  -0.302395D+01  0.134759D+02  0.442204D+02 -0.377207D+01 -0.150869D+01
      4  -0.111266D+02  0.112991D+02 -0.142797D+02  0.250375D+02  0.104197D+02
      5   0.100603D+02 -0.359233D+02  0.980162D+01  0.759685D+01  0.138815D+02
      6   0.771994D+01 -0.132478D+02  0.810777D+01  0.639654D+01  0.512642D+01
               256           257           258           259           260 
      1   0.134215D+02  0.361766D+02  0.334764D+01  0.292629D+02  0.405747D+01
      2  -0.285773D+01 -0.396058D+02 -0.774926D+01 -0.125615D+02 -0.369210D+01
      3  -0.105637D+02  0.342926D+01  0.440162D+01 -0.167014D+02 -0.365371D+00
      4   0.286982D+02 -0.276478D+02  0.477268D+01  0.229275D+02  0.153701D+02
      5   0.132290D+02  0.753327D+01  0.186134D+02  0.211383D+02  0.202137D+02
      6   0.711411D+01 -0.422805D+01  0.616655D+01  0.932188D+01  0.847681D+01
               261           262           263           264           265 
      1   0.152685D+02  0.859440D+01 -0.100296D+02  0.315910D+01 -0.850368D+01
      2   0.614563D+01  0.164153D+01 -0.102557D+01 -0.198271D+00 -0.908535D+01
      3  -0.214142D+02 -0.102359D+02  0.110551D+02 -0.296082D+01  0.175890D+02
      4   0.234559D+02 -0.172330D+02  0.207757D+02 -0.499263D+01  0.338099D+02
      5  -0.187104D+02  0.625692D+01 -0.520464D+01  0.433734D+01 -0.950175D+01
      6  -0.288994D+01 -0.379288D+01  0.360094D+01 -0.178568D+01  0.694863D+01
               266           267           268           269           270 
      1  -0.241631D+01 -0.161190D+00  0.172962D+00  0.131514D+01 -0.478084D+00
      2   0.336786D+02 -0.576595D+01 -0.221470D+01  0.361363D+01  0.140945D+01
      3  -0.312622D+02  0.592714D+01  0.204174D+01 -0.492878D+01 -0.931367D+00
      4  -0.678468D+02  0.147703D+02  0.227351D+01 -0.414785D+01 -0.477605D+01
      5   0.159123D+02 -0.122151D+02  0.364318D+01 -0.486879D+01  0.561792D+01
      6  -0.149959D+02  0.835052D+01 -0.207286D+01  0.492702D+01 -0.343730D+01
               271           272           273           274           275 
      1   0.620094D+01 -0.192101D-01  0.599463D+01 -0.723128D+01 -0.606938D+01
      2  -0.597694D+01 -0.120079D+01 -0.228283D+01  0.363988D+01  0.282162D+01
      3  -0.224000D+00  0.122000D+01 -0.371181D+01  0.359140D+01  0.324776D+01
      4  -0.111034D+01 -0.348784D+01 -0.262498D+00 -0.312564D+01 -0.320582D+01
      5   0.351285D+01 -0.171078D+01  0.509370D-01 -0.467671D+01  0.375434D+01
      6  -0.303469D+00 -0.164729D+01 -0.129756D+01 -0.858852D+00 -0.319914D+00
               276           277           278           279           280 
      1  -0.482265D+00  0.100925D+02 -0.378332D-01 -0.119529D+02  0.133345D+03
      2   0.526378D+01 -0.689666D+01  0.448949D+01 -0.158085D+02 -0.628937D+02
      3  -0.478152D+01 -0.319586D+01 -0.445166D+01  0.277614D+02 -0.704510D+02
      4   0.412911D+01  0.453868D+01  0.891762D+01 -0.356886D+01  0.451164D+02
      5  -0.101451D+02  0.100940D+02 -0.255251D+01  0.437465D+02  0.117347D+02
      6   0.103296D+01  0.167145D+01  0.365084D+01  0.126497D+02  0.294899D+00
               281           282           283           284           285 
      1   0.121252D+02 -0.299070D+00 -0.480300D+01  0.757897D+01 -0.329872D+00
      2  -0.225758D+01 -0.737684D+00  0.543403D+01 -0.231766D+00  0.723437D+00
      3  -0.986764D+01  0.103675D+01 -0.631035D+00 -0.734720D+01 -0.393566D+00
      4   0.185685D+02  0.142861D+01  0.139566D+02  0.711886D+01 -0.100131D+01
      5   0.201128D+01  0.128836D+02 -0.133720D+01 -0.608896D+00 -0.220592D+01
      6   0.185667D+01  0.363452D+01  0.488651D+00  0.582733D+00  0.191672D+00
               286           287           288           289           290 
      1  -0.163958D+02 -0.196066D+01  0.915804D+01  0.120737D+01  0.146317D+02
      2   0.635932D+01  0.263570D-02 -0.673737D+01  0.257734D+01 -0.147452D+02
      3   0.100365D+02  0.195802D+01 -0.242067D+01 -0.378471D+01  0.113502D+00
      4  -0.762110D+01 -0.489094D+01  0.139821D+01  0.449971D+01 -0.720856D+01
      5   0.125110D+02 -0.458395D+00 -0.159992D+00 -0.176846D+01 -0.770350D+00
      6   0.325986D+01  0.571923D+00 -0.519588D+00 -0.778976D-02 -0.318083D+01
               291           292           293           294           295 
      1   0.545841D+00  0.112364D+02 -0.333558D+02 -0.330642D+01 -0.410009D+01
      2  -0.544060D+00 -0.399720D+01  0.550340D+02  0.356284D+01  0.935536D+00
      3  -0.178019D-02 -0.723919D+01 -0.216782D+02 -0.256420D+00  0.316455D+01
      4  -0.242259D+01  0.108227D+02  0.604630D+02  0.681822D+01 -0.337396D+01
      5  -0.281747D+01  0.287776D+01  0.419593D+01  0.690923D+01 -0.348065D+00
      6  -0.244788D+01  0.527087D+00  0.122585D+02  0.760649D+01 -0.399177D+00
               296           297 
      1  -0.137961D+01 -0.607548D+01
      2  -0.131559D+01  0.439374D+01
      3   0.269521D+01  0.168174D+01
      4  -0.438961D+01  0.379253D+01
      5   0.468780D+01  0.230071D+01
      6   0.695429D+01  0.162474D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.314295D+00      0.798859D+00      0.266471D+01
   y         -0.273839D+00     -0.696028D+00     -0.232170D+01
   z         -0.559695D+00     -0.142260D+01     -0.474529D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.207575D+03      0.307594D+02      0.342245D+02
   yx        -0.191561D+01     -0.283864D+00     -0.315841D+00
   yy         0.129422D+03      0.191783D+02      0.213388D+02
   zx        -0.116276D+00     -0.172304D-01     -0.191714D-01
   zy        -0.693532D+01     -0.102771D+01     -0.114348D+01
   zz         0.142424D+03      0.211050D+02      0.234825D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170707D+03      0.252962D+02      0.281458D+02
   aniso      0.817275D+02      0.121108D+02      0.134750D+02
   xx         0.223923D+03      0.331820D+02      0.369199D+02
   yx        -0.257687D+01     -0.381852D+00     -0.424868D+00
   yy         0.137355D+03      0.203540D+02      0.226468D+02
   zx        -0.441587D+00     -0.654364D-01     -0.728078D-01
   zy        -0.708437D+01     -0.104979D+01     -0.116805D+01
   zz         0.150842D+03      0.223525D+02      0.248705D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.01113142         -0.48796070          2.68194430
     6          2.18577460          0.85921540          2.13610506
     6         -2.17298501         -0.22171621          1.22050069
     6         -2.20464242          1.41359539         -0.84375156
     6         -0.01251463          2.76120003         -1.39958082
     6          2.14316600          2.49281692          0.06992307
     6          4.55740417          0.51810717          3.66689604
     6          6.58407700         -1.11079587          2.35334701
     6          5.64182101         -3.79240573          1.85082645
     6          9.01212866         -1.13788945          3.91521417
     6         -4.54729734          1.75499155         -2.46941037
     6         -5.00549515         -0.62014795         -4.01224126
     8         -4.40222247         -0.89932027         -6.18587931
     8         -6.16276069         -2.46814925         -2.66942818
     1         -0.02734429         -1.77272989          4.27593174
     1         -3.83935618         -1.31172126          1.68212836
     1          0.00382418          4.03911533         -2.99853562
     1          3.81925624          3.57340864         -0.39658763
     1          4.09077003         -0.34668748          5.48595917
     1          5.37615292          2.36956171          4.08350734
     1          6.99942787         -0.22637568          0.52780470
     1          3.94906726         -3.79440587          0.67629834
     1          5.18272798         -4.74723111          3.62613111
     1          7.08598819         -4.91060593          0.89182207
     1          8.68084068         -1.99438356          5.76666274
     1          9.73060771          0.77200780          4.22417684
     1         10.48902195         -2.22990680          2.97567967
     1         -4.12653570          3.20224281         -3.87189263
     6         -6.87498291          2.55788381         -0.94305434
     1         -6.30826449         -3.91712988         -3.78230505
     1         -7.36543654          1.15237607          0.47584569
     1         -8.50749853          2.82104536         -2.17501837
     1         -6.48531872          4.33980441          0.01453393

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.697874D+00      0.177382D+01      0.591682D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.192570D+03      0.285359D+02      0.317505D+02
   yx        -0.376469D+00     -0.557869D-01     -0.620713D-01
   yy         0.136818D+03      0.202744D+02      0.225583D+02
   zx         0.289520D+02      0.429025D+01      0.477355D+01
   zy        -0.108768D+02     -0.161178D+01     -0.179335D+01
   zz         0.150032D+03      0.222325D+02      0.247370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170707D+03      0.252962D+02      0.281458D+02
   aniso      0.817275D+02      0.121108D+02      0.134750D+02
   xx         0.206841D+03      0.306506D+02      0.341034D+02
   yx        -0.523290D+00     -0.775435D-01     -0.862788D-01
   yy         0.144921D+03      0.214751D+02      0.238942D+02
   zx         0.325445D+02      0.482260D+01      0.536587D+01
   zy        -0.113236D+02     -0.167798D+01     -0.186701D+01
   zz         0.160359D+03      0.237628D+02      0.264397D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-27\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.659259,-0.321312,-1.242193\C,1.490963,-0.745946,-0.2072
 37\C,-0.71809,-0.258894,-1.081887\C,-1.309776,-0.623337,0.1262\C,-0.48
 2719,-1.046352,1.164346\C,0.893763,-1.109729,0.998704\C,2.987238,-0.77
 5646,-0.362525\C,3.71048,0.390606,0.339713\C,3.287383,1.743851,-0.2283
 96\C,5.224362,0.20541,0.249886\C,-2.815068,-0.572574,0.328715\C,-3.274
 676,0.873485,0.381112\O,-3.494906,1.491243,1.389409\O,-3.402223,1.4289
 65,-0.848305\H,1.098199,-0.031355,-2.18932\H,-1.334062,0.086297,-1.901
 266\H,-0.922428,-1.331954,2.112188\H,1.513624,-1.448846,1.820517\H,3.2
 46499,-0.759051,-1.425314\H,3.374941,-1.715698,0.040233\H,3.424573,0.3
 63197,1.397105\H,2.212629,1.900857,-0.13376\H,3.544429,1.813495,-1.289
 511\H,3.795064,2.559094,0.290594\H,5.554471,0.218287,-0.792668\H,5.536
 289,-0.745777,0.686569\H,5.750693,1.005637,0.773849\H,-3.026818,-0.959
 937,1.324718\C,-3.586088,-1.398877,-0.707092\H,-3.660581,2.353748,-0.7
 11548\H,-3.40532,-1.038742,-1.718004\H,-4.660002,-1.355147,-0.518665\H
 ,-3.267355,-2.439875,-0.650623\\Version=ES64L-G16RevA.03\State=1-A\HF=
 -657.0227198\RMSD=8.859e-09\RMSF=9.027e-06\ZeroPoint=0.2842203\Thermal
 =0.2998988\Dipole=0.3142955,-0.2738385,-0.5596951\DipoleDeriv=-0.15080
 46,-0.0082758,-0.0520744,0.0190312,-0.0933736,-0.0662818,-0.0875628,-0
 .0489831,0.0646081,0.348853,0.0566299,-0.0126153,0.0057566,-0.0832189,
 -0.019248,-0.0276493,-0.0203914,-0.073515,-0.0683592,-0.0100919,0.0392
 349,-0.0256013,-0.0905414,-0.0506511,0.0572719,-0.0439171,-0.0027765,0
 .2837866,-0.1116687,-0.0090689,-0.0073393,-0.1431466,-0.0189323,-0.035
 4216,0.0026645,-0.0723305,-0.0663554,0.0182709,-0.0462971,0.014066,-0.
 0965477,-0.0501784,-0.0175225,-0.069258,0.0644307,-0.1393645,-0.042019
 4,0.0587623,-0.0519894,-0.089315,-0.0446098,0.1244821,-0.0573438,0.029
 6235,0.0097385,-0.0253645,-0.0338698,-0.1264208,0.0892325,-0.021951,-0
 .1373306,-0.0141053,0.1566111,0.1324597,0.0012483,0.0241679,0.1327581,
 0.144139,-0.0193798,0.1098611,-0.0102033,0.0800819,-0.000856,0.0463591
 ,-0.0311437,0.0073891,-0.0180154,0.039958,-0.049797,0.0066904,0.122923
 ,-0.0105448,0.0100324,0.0023877,-0.0740051,0.0758852,-0.0004494,-0.054
 1964,-0.0019168,0.1358424,-0.0021943,0.156868,0.0346333,0.1326449,-0.0
 259665,-0.0183535,-0.0634821,-0.015332,0.096205,0.3931195,-0.3760116,-
 0.0990914,-0.7497273,1.1652077,0.0931809,-0.1104518,-0.0055669,1.56289
 86,-0.4302603,0.1622213,0.1603717,0.3702326,-0.7750438,-0.3773223,0.20
 13885,-0.168482,-0.9494128,-0.421338,0.0968318,-0.1128814,0.2102778,-0
 .5608202,0.3849417,-0.1361865,0.2638114,-0.9694781,0.015392,-0.0091088
 ,0.0786682,-0.0126524,0.0968665,0.0542526,0.0819082,0.0519055,-0.04293
 8,0.0308008,0.0165588,-0.0655836,0.0374336,0.1024898,0.0446264,-0.0784
 145,0.0418145,0.0084676,0.0181596,-0.0268167,0.0762166,-0.013939,0.097
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 000088,0.00000154,0.00000390,0.00000152,-0.00000272,-0.00000003,-0.000
 00014,-0.00000067,0.00000130,0.00000167,0.00000108,0.00000045,-0.00000
 026,0.00000250,-0.00000034,0.00000041,0.00000049\\\@


 THAT'S WHAT MAKES US A GREAT COUNTRY.
 THE LITTLE THINGS ARE SERIOUS AND THE BIG ONES ARE NOT.
           WILL ROGERS
 Job cpu time:       0 days 10 hours 18 minutes 39.6 seconds.
 Elapsed time:       0 days  1 hours 17 minutes 25.2 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 13:47:07 2021.
